| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 48.7 | Very low | 75.5 | Confident | 240 Ų | 240 | 136.7 Ų | 136.7 | 100% | 1.182 | 73% | 0.734 | S | S | * | * | 0 | 129.1 | 0 | -64.9 | 157.4 | 74.6 | 0 | 0 | 107.4 | |||||
| 2 | I | 53.3 | Low | 77 | Confident | 168 Ų | 168 | 138.2 Ų | 138.2 | 86% | 0.862 | 72% | 0.723 | S | S | * | * | trans | -90.3 | 106.1 | 177.3 | -32.3 | 177 | 0 | 0 | 0 | 107 | S4 | I2-S4 VanDerWaalsContact C-N 3.34Å; I2-S4 PolarHBondContact O-N 2.65Å | ||
| 3 | S | 61.4 | Low | 78.3 | Confident | 105 Ų | 105 | 128.5 Ų | 128.5 | 73% | 0.734 | 68% | 0.677 | S | S | * | * | trans | -79.1 | 85.8 | 177.2 | -174.2 | 0 | 0 | 0 | 0 | 109.6 | K5 | S3-K5 VanDerWaalsContact C-N 3.25Å; S3-K5 PolarHBondContact O-N 2.81Å | ||
| 4 | S | 70.3 | Confident | 79.5 | Confident | 107 Ų | 107 | 124 Ų | 124 | 75% | 0.748 | 65% | 0.653 | S | S | * | * | trans | -74 | 76.8 | 174.3 | 51.7 | 0 | 0 | 0 | 0 | 110.5 | I2 | I2-S4 VanDerWaalsContact C-N 3.34Å; I2-S4 PolarHBondContact O-N 2.65Å | ||
| 5 | K | 77.6 | Confident | 80.5 | Confident | 165 Ų | 165 | 126.6 Ų | 126.6 | 72% | 0.717 | 66% | 0.657 | S | S | * | * | trans | -51.4 | 124.5 | 169.2 | -67.2 | -179.6 | 178.6 | -179.8 | 0 | 109 | S3 R7 | S3-K5 VanDerWaalsContact C-N 3.25Å; S3-K5 PolarHBondContact O-N 2.81Å; K5-R7 PolarHBondContact O-N 3.06Å | ||
| 6 | P | 80.9 | Confident | 81.4 | Confident | 103 Ų | 103 | 120.8 Ų | 120.8 | 67% | 0.669 | 63% | 0.629 | S | S | * | * | trans | -61 | 124.7 | 178.9 | 24.6 | -32.8 | 0 | 0 | 0 | 109.1 | ||||
| 7 | R | 82.4 | Confident | 82.3 | Confident | 227 Ų | 227 | 116.1 Ų | 116.1 | 86% | 0.857 | 61% | 0.605 | S | S | * | * | trans | -92.5 | 109.4 | 177.9 | -67.5 | -178.2 | 178.2 | 179.4 | -0.8 | 108.2 | K5 V9 | K5-R7 PolarHBondContact O-N 3.06Å; R7-V9 HydrophobicContact CB-CG2 4.46Å; R7-V9 PolarHBondContact O-N 3.21Å | ||
| 8 | L | 85.6 | Confident | 83.1 | Confident | 103 Ų | 103 | 114.8 Ų | 114.8 | 54% | 0.539 | 60% | 0.598 | S | S | . | * | trans | -66.9 | 102.7 | 170.2 | -171.6 | 72.6 | 0 | 0 | 0 | 109 | M379 I423 | L8-M379 HydrophobicContact CB-CE 4.5Å; L8-M379 HydrophobicContact CD2-CE 3.61Å; L8-I423 HydrophobicContact CD2-CD1 4.29Å | ||
| 9 | V | 88.8 | Confident | 83.7 | Confident | 109 Ų | 109 | 112.9 Ų | 112.9 | 66% | 0.661 | 59% | 0.586 | S | S | * | * | trans | -94.9 | 102.8 | 176.2 | -180 | 0 | 0 | 0 | 0 | 108.5 | R7 P11 | R7-V9 HydrophobicContact CB-CG2 4.46Å; R7-V9 PolarHBondContact O-N 3.21Å; V9-P11 VanDerWaalsContact O-CD 3.32Å; V9-P11 WeakPolarHBondContact O-CD 3.32Å | ||
| 10 | V | 89.2 | Confident | 84.3 | Confident | 100 Ų | 100 | 107.4 Ų | 107.4 | 61% | 0.606 | 56% | 0.558 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 120.7 | 173.2 | 179.7 | 0 | 0 | 0 | 0 | 109 | L14 | V10-L14 HydrophobicContact CG1-CB 4.49Å; V10-L14 HydrophobicContact CG1-CD2 4.35Å |
| 11 | P | 92.1 | Very high | 84.9 | Confident | 77 Ų | 77 | 103.1 Ų | 103.1 | 50% | 0.5 | 54% | 0.535 | S | S | . | . | P | Polyproline II helix | trans | -59.9 | 138.6 | -178.2 | -26.2 | 35.4 | 0 | 0 | 0 | 112.9 | V9 G13 L14 | V9-P11 VanDerWaalsContact O-CD 3.32Å; V9-P11 WeakPolarHBondContact O-CD 3.32Å; P11-G13 PolarHBondContact O-N 3.1Å; P11-L14 HydrophobicContact CB-CB 4.44Å; P11-L14 WeakPolarHBondContact O-CB 3.32Å; P11-L14 PolarHBondContact O-N 2.86Å; P11-L14 VanDerWaalsContact O-N 3.11Å |
| 12 | Y | 94 | Very high | 87.2 | Confident | 154 Ų | 154 | 94.8 Ų | 94.8 | 60% | 0.604 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | 129.5 | 177.2 | 177.6 | -102.9 | 0 | 0 | 0 | 110.9 | D54 I55 K56 | Y12-D54 VanDerWaalsContact CE1-OD1 3.23Å; Y12-D54 WeakPolarHBondContact CE1-OD1 3.43Å; Y12-D54 PolarHBondContact OH-OD1 2.92Å; Y12-D54 PolarHBondContact OH-OD2 3.31Å; Y12-I55 HydrophobicContact CD1-CG2 3.98Å; Y12-I55 HydrophobicContact CE1-CG2 3.53Å; Y12-K56 WeakPolarHBondContact OH-CE 3.49Å; Y12-K56 PolarHBondContact OH-NZ 3.32Å |
| 13 | G | 93.5 | Very high | 89.2 | Confident | 12 Ų | 12 | 94 Ų | 94 | 12% | 0.124 | 49% | 0.487 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 88.6 | -13.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | P11 K15 T16 L17 I55 | P11-G13 PolarHBondContact O-N 3.1Å; G13-K15 VanDerWaalsContact C-N 3.3Å; G13-K15 PolarHBondContact O-N 2.88Å; G13-T16 PolarHBondContact O-N 2.66Å; G13-L17 PolarHBondContact O-N 3.48Å; G13-I55 VanDerWaalsContact CA-CG2 3.47Å |
| 14 | L | 94.7 | Very high | 90.8 | Very high | 66 Ų | 66 | 89 Ų | 89 | 35% | 0.346 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -54.7 | -44.6 | -176.9 | 179.7 | 60.3 | 0 | 0 | 0 | 112.2 | V10 P11 T16 L17 L18 | V10-L14 HydrophobicContact CG1-CB 4.49Å; V10-L14 HydrophobicContact CG1-CD2 4.35Å; P11-L14 HydrophobicContact CB-CB 4.44Å; P11-L14 WeakPolarHBondContact O-CB 3.32Å; P11-L14 PolarHBondContact O-N 2.86Å; P11-L14 VanDerWaalsContact O-N 3.11Å; L14-T16 VanDerWaalsContact C-N 3.33Å; L14-T16 PolarHBondContact O-N 3.27Å; L14-L17 PolarHBondContact O-N 3.15Å; L14-L18 HydrophobicContact CD1-CD1 4.05Å; L14-L18 HydrophobicContact CD1-CG 4Å; L14-L18 HydrophobicContact CG-CD1 3.94Å; L14-L18 HydrophobicContact CG-CG 4.33Å; L14-L18 WeakPolarHBondContact O-CB 3.17Å; L14-L18 WeakPolarHBondContact O-CG 3.14Å; L14-L18 PolarHBondContact O-N 3.47Å |
| 15 | K | 94.8 | Very high | 92 | Very high | 163 Ų | 163 | 85 Ų | 85 | 71% | 0.709 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -54.5 | -46.1 | 174.4 | 177 | 170 | -179.7 | 167.3 | 0 | 112.5 | G13 E19 | G13-K15 VanDerWaalsContact C-N 3.3Å; G13-K15 PolarHBondContact O-N 2.88Å; K15-E19 WeakPolarHBondContact O-CB 3.16Å; K15-E19 PolarHBondContact O-N 3.17Å |
| 16 | T | 95.8 | Very high | 92.7 | Very high | 33 Ų | 33 | 83.5 Ų | 83.5 | 20% | 0.202 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -74.5 | -30 | -178.2 | -53.3 | 0 | 0 | 0 | 0 | 112.2 | G13 L14 G20 K56 V59 | G13-T16 PolarHBondContact O-N 2.66Å; L14-T16 VanDerWaalsContact C-N 3.33Å; L14-T16 PolarHBondContact O-N 3.27Å; T16-G20 PolarHBondContact O-N 3.22Å; T16-K56 HydrophobicContact CG2-CB 4.33Å; T16-K56 HydrophobicContact CG2-CG 4.11Å; T16-V59 HydrophobicContact CG2-CB 4.32Å; T16-V59 HydrophobicContact CG2-CG1 4.34Å |
| 17 | L | 95.9 | Very high | 93.3 | Very high | 42 Ų | 42 | 82.5 Ų | 82.5 | 22% | 0.22 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -66.6 | -47.4 | 172.8 | -173.9 | 63.6 | 0 | 0 | 0 | 111.3 | G13 L14 G20 I21 Y40 F41 L44 V59 | G13-L17 PolarHBondContact O-N 3.48Å; L14-L17 PolarHBondContact O-N 3.15Å; L17-G20 PolarHBondContact O-N 2.81Å; L17-I21 WeakPolarHBondContact O-CG2 3.5Å; L17-I21 PolarHBondContact O-N 2.97Å; L17-Y40 HydrophobicContact CD1-CE1 4.36Å; L17-F41 HydrophobicContact CD1-CD1 3.94Å; L17-F41 HydrophobicContact CD1-CE1 3.61Å; L17-F41 HydrophobicContact CD2-CD1 4.47Å; L17-F41 HydrophobicContact CD2-CE1 4.01Å; L17-F41 HydrophobicContact CG-CD1 4.37Å; L17-F41 HydrophobicContact CG-CE1 3.68Å; L17-F41 HydrophobicContact CG-CZ 4.48Å; L17-L44 HydrophobicContact CD1-CD2 3.36Å; L17-V59 HydrophobicContact CD1-CG2 4.37Å |
| 18 | L | 96.5 | Very high | 93.7 | Very high | 92 Ų | 92 | 73.5 Ų | 73.5 | 48% | 0.482 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63.1 | -48.4 | 175 | -70 | 174.3 | 0 | 0 | 0 | 111.8 | L14 G20 I21 S22 | L14-L18 HydrophobicContact CD1-CD1 4.05Å; L14-L18 HydrophobicContact CD1-CG 4Å; L14-L18 HydrophobicContact CG-CD1 3.94Å; L14-L18 HydrophobicContact CG-CG 4.33Å; L14-L18 WeakPolarHBondContact O-CB 3.17Å; L14-L18 WeakPolarHBondContact O-CG 3.14Å; L14-L18 PolarHBondContact O-N 3.47Å; L18-G20 PolarHBondContact O-N 2.69Å; L18-I21 VanDerWaalsContact O-CG2 3.28Å; L18-I21 WeakPolarHBondContact O-CG2 3.4Å; L18-I21 PolarHBondContact O-N 3.17Å; L18-S22 WeakPolarHBondContact O-CB 3.33Å; L18-S22 PolarHBondContact O-N 3.19Å; L18-S22 PolarHBondContact O-OG 2.87Å; L18-S22 VanDerWaalsContact O-OG 3.11Å |
| 19 | E | 95.7 | Very high | 94.1 | Very high | 79 Ų | 79 | 75.4 Ų | 75.4 | 37% | 0.369 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -58.2 | -39.1 | 175.2 | -170 | -170.3 | 152.5 | 0 | 0 | 111.5 | K15 R23 | K15-E19 WeakPolarHBondContact O-CB 3.16Å; K15-E19 PolarHBondContact O-N 3.17Å; E19-R23 WeakPolarHBondContact O-CB 3.39Å; E19-R23 WeakPolarHBondContact O-CD 3.19Å; E19-R23 WeakPolarHBondContact O-CG 3.34Å; E19-R23 PolarHBondContact O-N 2.61Å; E19-R23 IonicContact OE1-CZ 2.69Å; E19-R23 VanDerWaalsContact OE1-CZ 3.27Å; E19-R23 IonicContact OE1-NE 2.68Å; E19-R23 PolarHBondContact OE1-NE 3.48Å; E19-R23 IonicContact OE1-NH2 2.69Å; E19-R23 PolarHBondContact OE1-NH2 3.26Å |
| 20 | G | 95.7 | Very high | 94.3 | Very high | 2 Ų | 2 | 71.6 Ų | 71.6 | 2% | 0.021 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -61.5 | -57.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | T16 L17 L18 S22 R23 A24 H63 | T16-G20 PolarHBondContact O-N 3.22Å; L17-G20 PolarHBondContact O-N 2.81Å; L18-G20 PolarHBondContact O-N 2.69Å; G20-S22 VanDerWaalsContact C-N 3.31Å; G20-S22 PolarHBondContact O-N 2.69Å; G20-R23 WeakPolarHBondContact O-CB 3.48Å; G20-R23 PolarHBondContact O-N 3.19Å; G20-A24 PolarHBondContact O-N 3.01Å; G20-H63 WeakPolarHBondContact CA-CE1 3.28Å; G20-H63 PolarHBondContact O-CE1 3.08Å; G20-H63 PolarHBondContact O-NE2 3.04Å |
| 21 | I | 96.1 | Very high | 94.6 | Very high | 18 Ų | 18 | 73.3 Ų | 73.3 | 9% | 0.092 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -61.5 | -38.7 | 179.9 | -174.7 | 171.9 | 0 | 0 | 0 | 112 | L17 L18 R23 A24 V25 A37 Y40 F41 | L17-I21 WeakPolarHBondContact O-CG2 3.5Å; L17-I21 PolarHBondContact O-N 2.97Å; L18-I21 VanDerWaalsContact O-CG2 3.28Å; L18-I21 WeakPolarHBondContact O-CG2 3.4Å; L18-I21 PolarHBondContact O-N 3.17Å; I21-R23 PolarHBondContact O-N 3.15Å; I21-A24 WeakPolarHBondContact O-CB 3.43Å; I21-A24 PolarHBondContact O-N 3.29Å; I21-A24 VanDerWaalsContact O-N 3.13Å; I21-V25 HydrophobicContact CG1-CG2 4.06Å; I21-V25 WeakPolarHBondContact O-CB 3.27Å; I21-V25 VanDerWaalsContact O-CG2 3.32Å; I21-V25 WeakPolarHBondContact O-CG2 3.4Å; I21-V25 PolarHBondContact O-N 3.41Å; I21-A37 VanDerWaalsContact CD1-CA 3.49Å; I21-A37 HydrophobicContact CD1-CB 3.36Å; I21-Y40 HydrophobicContact CB-CD1 4.01Å; I21-Y40 HydrophobicContact CB-CE1 3.9Å; I21-Y40 HydrophobicContact CD1-CD1 4.24Å; I21-Y40 HydrophobicContact CG1-CD1 4.17Å; I21-Y40 HydrophobicContact CG1-CG 4.36Å; I21-F41 HydrophobicContact CB-CE1 4.45Å; I21-F41 HydrophobicContact CB-CZ 4.3Å; I21-F41 HydrophobicContact CD1-CE1 4.37Å; I21-F41 HydrophobicContact CD1-CE2 3.92Å; I21-F41 HydrophobicContact CD1-CZ 3.67Å; I21-F41 HydrophobicContact CG2-CZ 4.19Å |
| 22 | S | 96.1 | Very high | 94.7 | Very high | 66 Ų | 66 | 72.7 Ų | 72.7 | 46% | 0.462 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -61.3 | -43.9 | 175.3 | -65 | 0 | 0 | 0 | 0 | 112.2 | L18 G20 A24 V25 L26 | L18-S22 WeakPolarHBondContact O-CB 3.33Å; L18-S22 PolarHBondContact O-N 3.19Å; L18-S22 PolarHBondContact O-OG 2.87Å; L18-S22 VanDerWaalsContact O-OG 3.11Å; G20-S22 VanDerWaalsContact C-N 3.31Å; G20-S22 PolarHBondContact O-N 2.69Å; S22-A24 VanDerWaalsContact C-N 3.32Å; S22-A24 PolarHBondContact O-N 2.86Å; S22-V25 PolarHBondContact O-N 2.97Å; S22-L26 WeakPolarHBondContact O-CB 3.43Å; S22-L26 VanDerWaalsContact O-CG 3.27Å; S22-L26 WeakPolarHBondContact O-CG 3.45Å; S22-L26 PolarHBondContact O-N 3.3Å |
| 23 | R | 95.2 | Very high | 94.8 | Very high | 151 Ų | 151 | 70 Ų | 70 | 57% | 0.57 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -60.4 | -40.8 | 172.4 | -73.2 | 163.4 | 177.4 | -98.6 | 6.9 | 111.6 | E19 G20 I21 K27 | E19-R23 WeakPolarHBondContact O-CB 3.39Å; E19-R23 WeakPolarHBondContact O-CD 3.19Å; E19-R23 WeakPolarHBondContact O-CG 3.34Å; E19-R23 PolarHBondContact O-N 2.61Å; E19-R23 IonicContact OE1-CZ 2.69Å; E19-R23 VanDerWaalsContact OE1-CZ 3.27Å; E19-R23 IonicContact OE1-NE 2.68Å; E19-R23 PolarHBondContact OE1-NE 3.48Å; E19-R23 IonicContact OE1-NH2 2.69Å; E19-R23 PolarHBondContact OE1-NH2 3.26Å; G20-R23 WeakPolarHBondContact O-CB 3.48Å; G20-R23 PolarHBondContact O-N 3.19Å; I21-R23 PolarHBondContact O-N 3.15Å; R23-K27 WeakPolarHBondContact O-CB 3.32Å; R23-K27 PolarHBondContact O-N 3.1Å; R23-K27 VanDerWaalsContact O-N 3.12Å |
| 24 | A | 94.9 | Very high | 95 | Very high | 0 Ų | 0 | 75.1 Ų | 75.1 | 0% | 0 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -67.2 | -46.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | G20 I21 S22 K27 T28 F36 Y40 V67 | G20-A24 PolarHBondContact O-N 3.01Å; I21-A24 WeakPolarHBondContact O-CB 3.43Å; I21-A24 PolarHBondContact O-N 3.29Å; I21-A24 VanDerWaalsContact O-N 3.13Å; S22-A24 VanDerWaalsContact C-N 3.32Å; S22-A24 PolarHBondContact O-N 2.86Å; A24-K27 PolarHBondContact O-N 2.68Å; A24-K27 VanDerWaalsContact O-N 3.1Å; A24-T28 PolarHBondContact O-N 3.35Å; A24-T28 PolarHBondContact O-OG1 3.24Å; A24-F36 HydrophobicContact CB-CE1 3.89Å; A24-F36 HydrophobicContact CB-CZ 3.93Å; A24-Y40 HydrophobicContact CB-CD2 3.93Å; A24-Y40 HydrophobicContact CB-CE2 3.85Å; A24-V67 HydrophobicContact CB-CG1 3.8Å; A24-V67 HydrophobicContact CB-CG2 4.17Å |
| 25 | V | 95.8 | Very high | 95 | Very high | 23 Ų | 23 | 78.7 Ų | 78.7 | 14% | 0.139 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -58.4 | -47.3 | 175.5 | 169.3 | 0 | 0 | 0 | 0 | 110.9 | I21 S22 K27 T28 N29 P30 I33 F36 | I21-V25 HydrophobicContact CG1-CG2 4.06Å; I21-V25 WeakPolarHBondContact O-CB 3.27Å; I21-V25 VanDerWaalsContact O-CG2 3.32Å; I21-V25 WeakPolarHBondContact O-CG2 3.4Å; I21-V25 PolarHBondContact O-N 3.41Å; S22-V25 PolarHBondContact O-N 2.97Å; V25-K27 PolarHBondContact O-N 3.1Å; V25-T28 PolarHBondContact O-N 3.29Å; V25-N29 WeakPolarHBondContact O-CA 3.44Å; V25-N29 PolarHBondContact O-N 3.02Å; V25-P30 HydrophobicContact CG1-CG 4.19Å; V25-P30 HydrophobicContact CG2-CG 4.41Å; V25-P30 WeakPolarHBondContact O-CD 3.36Å; V25-I33 HydrophobicContact CG1-CD1 4.26Å; V25-I33 HydrophobicContact CG1-CG1 4.21Å; V25-I33 HydrophobicContact CG2-CG2 4.13Å; V25-F36 HydrophobicContact CB-CE1 4.42Å; V25-F36 HydrophobicContact CG2-CD1 3.55Å; V25-F36 HydrophobicContact CG2-CE1 3.64Å |
| 26 | L | 93.9 | Very high | 95.1 | Very high | 134 Ų | 134 | 72.3 Ų | 72.3 | 70% | 0.702 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -62.8 | -27.8 | 176.6 | -72.2 | 169.8 | 0 | 0 | 0 | 113 | S22 | S22-L26 WeakPolarHBondContact O-CB 3.43Å; S22-L26 VanDerWaalsContact O-CG 3.27Å; S22-L26 WeakPolarHBondContact O-CG 3.45Å; S22-L26 PolarHBondContact O-N 3.3Å |
| 27 | K | 92.8 | Very high | 95.2 | Very high | 82 Ų | 82 | 71.5 Ų | 71.5 | 36% | 0.357 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -86.8 | -32.2 | -179.5 | -153.3 | -168.2 | -172.9 | -154.5 | 0 | 113.8 | R23 A24 V25 E68 S71 | R23-K27 WeakPolarHBondContact O-CB 3.32Å; R23-K27 PolarHBondContact O-N 3.1Å; R23-K27 VanDerWaalsContact O-N 3.12Å; A24-K27 PolarHBondContact O-N 2.68Å; A24-K27 VanDerWaalsContact O-N 3.1Å; V25-K27 PolarHBondContact O-N 3.1Å; K27-E68 IonicContact NZ-OE1 2.77Å; K27-E68 PolarHBondContact NZ-OE1 3.01Å; K27-E68 IonicContact NZ-OE2 2.61Å; K27-E68 PolarHBondContact NZ-OE2 3.12Å; K27-S71 VanDerWaalsContact CE-OG 3.32Å; K27-S71 WeakPolarHBondContact CE-OG 3.31Å; K27-S71 PolarHBondContact NZ-OG 3.47Å |
| 28 | T | 91.8 | Very high | 95.2 | Very high | 38 Ų | 38 | 72.5 Ų | 72.5 | 23% | 0.233 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -98 | -20.2 | -178.4 | 58.4 | 0 | 0 | 0 | 0 | 113.7 | A24 V25 F36 W70 | A24-T28 PolarHBondContact O-N 3.35Å; A24-T28 PolarHBondContact O-OG1 3.24Å; V25-T28 PolarHBondContact O-N 3.29Å; T28-F36 HydrophobicContact CG2-CE2 3.91Å; T28-F36 HydrophobicContact CG2-CZ 3.96Å; T28-F36 WeakPolarHBondContact OG1-CE2 3.37Å; T28-F36 WeakPolarHBondContact OG1-CZ 3.34Å; T28-W70 HydrophobicContact CG2-CB 3.66Å; T28-W70 HydrophobicContact CG2-CE3 4.16Å |
| 29 | N | 93.1 | Very high | 95.1 | Very high | 143 Ų | 143 | 70.2 Ų | 70.2 | 77% | 0.765 | 39% | 0.387 | S | S | * | . | trans | 46.4 | 61.8 | -175.1 | -166.2 | 29 | 0 | 0 | 0 | 113.3 | V25 | V25-N29 WeakPolarHBondContact O-CA 3.44Å; V25-N29 PolarHBondContact O-N 3.02Å | ||
| 30 | P | 93.8 | Very high | 95.1 | Very high | 28 Ų | 28 | 66.4 Ų | 66.4 | 18% | 0.182 | 37% | 0.369 | C | S | . | . | trans | -72.7 | 139.1 | -173.2 | 31.8 | -34.4 | 0 | 0 | 0 | 111.5 | V25 N32 I33 F36 | V25-P30 HydrophobicContact CG1-CG 4.19Å; V25-P30 HydrophobicContact CG2-CG 4.41Å; V25-P30 WeakPolarHBondContact O-CD 3.36Å; P30-N32 PolarHBondContact O-N 2.95Å; P30-I33 HydrophobicContact CG-CG1 4.44Å; P30-F36 HydrophobicContact CB-CB 3.69Å; P30-F36 HydrophobicContact CB-CD2 3.86Å; P30-F36 HydrophobicContact CB-CG 3.8Å; P30-F36 HydrophobicContact CG-CB 3.79Å; P30-F36 HydrophobicContact CG-CD1 4Å; P30-F36 HydrophobicContact CG-CD2 4.11Å; P30-F36 HydrophobicContact CG-CG 3.7Å | ||
| 31 | S | 94.6 | Very high | 95.1 | Very high | 137 Ų | 137 | 69.7 Ų | 69.7 | 96% | 0.958 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -66.5 | -17.6 | 177.1 | 53.5 | 0 | 0 | 0 | 0 | 114.3 | ||
| 32 | N | 95.1 | Very high | 95.1 | Very high | 64 Ų | 64 | 75.1 Ų | 75.1 | 34% | 0.342 | 41% | 0.408 | S | S | . | . | trans | -138.4 | 109.3 | 171.1 | -174.7 | -49.4 | 0 | 0 | 0 | 109.4 | P30 N34 Q35 F36 | P30-N32 PolarHBondContact O-N 2.95Å; N32-N34 VanDerWaalsContact C-N 3.34Å; N32-N34 PolarHBondContact O-N 2.87Å; N32-N34 PolarHBondContact OD1-N 3.45Å; N32-Q35 HydrophobicContact CB-CB 4.23Å; N32-Q35 HydrophobicContact CB-CG 4.34Å; N32-Q35 PolarHBondContact OD1-N 3Å; N32-F36 WeakPolarHBondContact O-CB 3.48Å; N32-F36 PolarHBondContact O-N 3.22Å; N32-F36 VanDerWaalsContact O-N 3.11Å | ||
| 33 | I | 95.9 | Very high | 95 | Very high | 96 Ų | 96 | 74.5 Ų | 74.5 | 49% | 0.492 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -66.2 | -36.6 | -176.6 | -60.8 | 176.4 | 0 | 0 | 0 | 111.3 | V25 P30 F36 A37 | V25-I33 HydrophobicContact CG1-CD1 4.26Å; V25-I33 HydrophobicContact CG1-CG1 4.21Å; V25-I33 HydrophobicContact CG2-CG2 4.13Å; P30-I33 HydrophobicContact CG-CG1 4.44Å; I33-F36 PolarHBondContact O-N 3.38Å; I33-A37 WeakPolarHBondContact O-CB 3.16Å; I33-A37 PolarHBondContact O-N 3.14Å |
| 34 | N | 96.5 | Very high | 95 | Very high | 121 Ų | 121 | 67.7 Ų | 67.7 | 65% | 0.647 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -70.2 | -43 | -176.9 | -63.6 | -9.2 | 0 | 0 | 0 | 111.8 | N32 A37 A38 | N32-N34 VanDerWaalsContact C-N 3.34Å; N32-N34 PolarHBondContact O-N 2.87Å; N32-N34 PolarHBondContact OD1-N 3.45Å; N34-A37 WeakPolarHBondContact O-CB 3.39Å; N34-A37 PolarHBondContact O-N 3.47Å; N34-A38 PolarHBondContact O-N 3.02Å |
| 35 | Q | 96.1 | Very high | 94.9 | Very high | 140 Ų | 140 | 72.4 Ų | 72.4 | 65% | 0.654 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -66.2 | -39.6 | 174.1 | -68.4 | -179 | 5.7 | 0 | 0 | 111.6 | N32 A37 A38 A39 | N32-Q35 HydrophobicContact CB-CB 4.23Å; N32-Q35 HydrophobicContact CB-CG 4.34Å; N32-Q35 PolarHBondContact OD1-N 3Å; Q35-A37 VanDerWaalsContact C-N 3.32Å; Q35-A37 PolarHBondContact O-N 3.12Å; Q35-A38 PolarHBondContact O-N 3.49Å; Q35-A39 WeakPolarHBondContact O-CB 3.49Å; Q35-A39 PolarHBondContact O-N 3.15Å; Q35-A39 VanDerWaalsContact O-N 3.07Å |
| 36 | F | 96.2 | Very high | 94.7 | Very high | 29 Ų | 29 | 77.5 Ų | 77.5 | 13% | 0.127 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -63.1 | -38.2 | 172.7 | -178.9 | -94.9 | 0 | 0 | 0 | 112 | A24 V25 T28 P30 N32 I33 A39 Y40 W70 | A24-F36 HydrophobicContact CB-CE1 3.89Å; A24-F36 HydrophobicContact CB-CZ 3.93Å; V25-F36 HydrophobicContact CB-CE1 4.42Å; V25-F36 HydrophobicContact CG2-CD1 3.55Å; V25-F36 HydrophobicContact CG2-CE1 3.64Å; T28-F36 HydrophobicContact CG2-CE2 3.91Å; T28-F36 HydrophobicContact CG2-CZ 3.96Å; T28-F36 WeakPolarHBondContact OG1-CE2 3.37Å; T28-F36 WeakPolarHBondContact OG1-CZ 3.34Å; P30-F36 HydrophobicContact CB-CB 3.69Å; P30-F36 HydrophobicContact CB-CD2 3.86Å; P30-F36 HydrophobicContact CB-CG 3.8Å; P30-F36 HydrophobicContact CG-CB 3.79Å; P30-F36 HydrophobicContact CG-CD1 4Å; P30-F36 HydrophobicContact CG-CD2 4.11Å; P30-F36 HydrophobicContact CG-CG 3.7Å; N32-F36 WeakPolarHBondContact O-CB 3.48Å; N32-F36 PolarHBondContact O-N 3.22Å; N32-F36 VanDerWaalsContact O-N 3.11Å; I33-F36 PolarHBondContact O-N 3.38Å; F36-A39 PolarHBondContact O-N 2.93Å; F36-Y40 WeakPolarHBondContact O-CB 3.5Å; F36-Y40 PolarHBondContact O-N 2.64Å; F36-W70 HydrophobicContact CE1-CZ3 4.41Å; F36-W70 AromaticContact CE2-CE3 3.65Å; F36-W70 HydrophobicContact CE2-CE3 3.65Å; F36-W70 AromaticContact CE2-CZ3 3.56Å; F36-W70 HydrophobicContact CE2-CZ3 3.56Å; F36-W70 AromaticContact CZ-CE3 3.7Å; F36-W70 HydrophobicContact CZ-CE3 3.7Å; F36-W70 AromaticContact CZ-CZ3 3.5Å; F36-W70 HydrophobicContact CZ-CZ3 3.5Å; F36-W70 VanDerWaalsContact CZ-CZ3 3.5Å |
| 37 | A | 96.6 | Very high | 94.6 | Very high | 17 Ų | 17 | 74.5 Ų | 74.5 | 14% | 0.14 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -63.4 | -47.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | I21 I33 N34 Q35 A39 Y40 F41 | I21-A37 VanDerWaalsContact CD1-CA 3.49Å; I21-A37 HydrophobicContact CD1-CB 3.36Å; I33-A37 WeakPolarHBondContact O-CB 3.16Å; I33-A37 PolarHBondContact O-N 3.14Å; N34-A37 WeakPolarHBondContact O-CB 3.39Å; N34-A37 PolarHBondContact O-N 3.47Å; Q35-A37 VanDerWaalsContact C-N 3.32Å; Q35-A37 PolarHBondContact O-N 3.12Å; A37-A39 PolarHBondContact O-N 3.25Å; A37-Y40 PolarHBondContact O-N 2.7Å; A37-F41 HydrophobicContact CB-CE2 4.16Å; A37-F41 WeakPolarHBondContact O-CD2 3.42Å; A37-F41 WeakPolarHBondContact O-CG 3.35Å; A37-F41 PolarHBondContact O-N 2.99Å |
| 38 | A | 96.6 | Very high | 94.6 | Very high | 63 Ų | 63 | 76.7 Ų | 76.7 | 52% | 0.521 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -57.9 | -48.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | N34 Q35 Y40 F41 Q42 | N34-A38 PolarHBondContact O-N 3.02Å; Q35-A38 PolarHBondContact O-N 3.49Å; A38-Y40 PolarHBondContact O-N 3.46Å; A38-F41 PolarHBondContact O-N 3.06Å; A38-Q42 VanDerWaalsContact O-CB 3.29Å; A38-Q42 WeakPolarHBondContact O-CB 3.32Å; A38-Q42 PolarHBondContact O-N 2.98Å |
| 39 | A | 94.5 | Very high | 94.3 | Very high | 43 Ų | 43 | 77.6 Ų | 77.6 | 36% | 0.355 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -62.6 | -40.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q35 F36 A37 E43 | Q35-A39 WeakPolarHBondContact O-CB 3.49Å; Q35-A39 PolarHBondContact O-N 3.15Å; Q35-A39 VanDerWaalsContact O-N 3.07Å; F36-A39 PolarHBondContact O-N 2.93Å; A37-A39 PolarHBondContact O-N 3.25Å; A39-E43 VanDerWaalsContact O-CB 3.3Å; A39-E43 WeakPolarHBondContact O-CB 3.49Å; A39-E43 WeakPolarHBondContact O-CG 3.4Å; A39-E43 PolarHBondContact O-N 3.2Å |
| 40 | Y | 96.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 78.5 Ų | 78.5 | 0% | 0 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -62.8 | -46.9 | 176.9 | 172.7 | -83.9 | 0 | 0 | 0 | 112 | L17 I21 A24 F36 A37 A38 L44 F62 H63 V67 W70 | L17-Y40 HydrophobicContact CD1-CE1 4.36Å; I21-Y40 HydrophobicContact CB-CD1 4.01Å; I21-Y40 HydrophobicContact CB-CE1 3.9Å; I21-Y40 HydrophobicContact CD1-CD1 4.24Å; I21-Y40 HydrophobicContact CG1-CD1 4.17Å; I21-Y40 HydrophobicContact CG1-CG 4.36Å; A24-Y40 HydrophobicContact CB-CD2 3.93Å; A24-Y40 HydrophobicContact CB-CE2 3.85Å; F36-Y40 WeakPolarHBondContact O-CB 3.5Å; F36-Y40 PolarHBondContact O-N 2.64Å; A37-Y40 PolarHBondContact O-N 2.7Å; A38-Y40 PolarHBondContact O-N 3.46Å; Y40-L44 HydrophobicContact CE1-CD2 4.07Å; Y40-L44 WeakPolarHBondContact O-CB 3.21Å; Y40-L44 PolarHBondContact O-N 3.48Å; Y40-F62 AromaticContact CD2-CE1 3.73Å; Y40-F62 HydrophobicContact CD2-CE1 3.73Å; Y40-F62 AromaticContact CE2-CD1 3.91Å; Y40-F62 HydrophobicContact CE2-CD1 3.91Å; Y40-F62 AromaticContact CE2-CE1 3.53Å; Y40-F62 HydrophobicContact CE2-CE1 3.53Å; Y40-H63 PolarHBondContact OH-CE1 2.75Å; Y40-H63 VanDerWaalsContact OH-CE1 3.32Å; Y40-V67 HydrophobicContact CE2-CG2 4.17Å; Y40-W70 HydrophobicContact CD2-CH2 4.29Å; Y40-W70 HydrophobicContact CD2-CZ3 4Å |
| 41 | F | 95.5 | Very high | 92.9 | Very high | 71 Ų | 71 | 79.9 Ų | 79.9 | 31% | 0.311 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -72 | -33.9 | 178.8 | -61.4 | -48.5 | 0 | 0 | 0 | 112.7 | L17 I21 A37 A38 T45 | L17-F41 HydrophobicContact CD1-CD1 3.94Å; L17-F41 HydrophobicContact CD1-CE1 3.61Å; L17-F41 HydrophobicContact CD2-CD1 4.47Å; L17-F41 HydrophobicContact CD2-CE1 4.01Å; L17-F41 HydrophobicContact CG-CD1 4.37Å; L17-F41 HydrophobicContact CG-CE1 3.68Å; L17-F41 HydrophobicContact CG-CZ 4.48Å; I21-F41 HydrophobicContact CB-CE1 4.45Å; I21-F41 HydrophobicContact CB-CZ 4.3Å; I21-F41 HydrophobicContact CD1-CE1 4.37Å; I21-F41 HydrophobicContact CD1-CE2 3.92Å; I21-F41 HydrophobicContact CD1-CZ 3.67Å; I21-F41 HydrophobicContact CG2-CZ 4.19Å; A37-F41 HydrophobicContact CB-CE2 4.16Å; A37-F41 WeakPolarHBondContact O-CD2 3.42Å; A37-F41 WeakPolarHBondContact O-CG 3.35Å; A37-F41 PolarHBondContact O-N 2.99Å; A38-F41 PolarHBondContact O-N 3.06Å; F41-T45 VanDerWaalsContact O-CB 3.31Å; F41-T45 WeakPolarHBondContact O-CB 3.41Å; F41-T45 PolarHBondContact O-N 3.38Å; F41-T45 PolarHBondContact O-OG1 3.36Å |
| 42 | Q | 95.4 | Very high | 92.5 | Very high | 131 Ų | 131 | 80.2 Ų | 80.2 | 61% | 0.612 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -62.3 | -48.7 | 172.3 | -174.5 | 180 | 10 | 0 | 0 | 111.3 | A38 T45 M46 | A38-Q42 VanDerWaalsContact O-CB 3.29Å; A38-Q42 WeakPolarHBondContact O-CB 3.32Å; A38-Q42 PolarHBondContact O-N 2.98Å; Q42-T45 PolarHBondContact O-N 3.5Å; Q42-M46 WeakPolarHBondContact O-CB 3.44Å; Q42-M46 PolarHBondContact O-N 3Å |
| 43 | E | 94.1 | Very high | 92.3 | Very high | 53 Ų | 53 | 80.6 Ų | 80.6 | 25% | 0.248 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -68.5 | -35.6 | 178.1 | -79.8 | -86.6 | -122.9 | 0 | 0 | 112.7 | A39 M46 Y47 F62 K66 W70 | A39-E43 VanDerWaalsContact O-CB 3.3Å; A39-E43 WeakPolarHBondContact O-CB 3.49Å; A39-E43 WeakPolarHBondContact O-CG 3.4Å; A39-E43 PolarHBondContact O-N 3.2Å; E43-M46 PolarHBondContact O-N 3.13Å; E43-Y47 WeakPolarHBondContact O-CB 3.29Å; E43-Y47 PolarHBondContact O-N 2.89Å; E43-F62 VanDerWaalsContact C-CE2 3.5Å; E43-F62 HydrophobicContact CB-CE2 3.94Å; E43-F62 HydrophobicContact CB-CZ 3.79Å; E43-F62 WeakPolarHBondContact O-CE2 3.35Å; E43-K66 WeakPolarHBondContact OE1-CE 3.45Å; E43-K66 IonicContact OE1-NZ 3.06Å; E43-K66 PolarHBondContact OE1-NZ 3.49Å; E43-K66 WeakPolarHBondContact OE2-CE 3.23Å; E43-K66 IonicContact OE2-NZ 2.7Å; E43-K66 PolarHBondContact OE2-NZ 2.66Å; E43-W70 HydrophobicContact CB-CZ2 4.42Å; E43-W70 HydrophobicContact CG-CZ2 4.36Å |
| 44 | L | 94.6 | Very high | 92.2 | Very high | 9 Ų | 9 | 78.8 Ų | 78.8 | 5% | 0.047 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -65.5 | -40 | 173.7 | -177.3 | 66.9 | 0 | 0 | 0 | 111.5 | L17 Y40 Y47 R48 L58 V59 F62 | L17-L44 HydrophobicContact CD1-CD2 3.36Å; Y40-L44 HydrophobicContact CE1-CD2 4.07Å; Y40-L44 WeakPolarHBondContact O-CB 3.21Å; Y40-L44 PolarHBondContact O-N 3.48Å; L44-Y47 PolarHBondContact O-N 3.42Å; L44-R48 WeakPolarHBondContact O-CB 3.46Å; L44-R48 PolarHBondContact O-N 3.29Å; L44-L58 HydrophobicContact CD1-CD2 4.39Å; L44-L58 HydrophobicContact CD1-CG 4.08Å; L44-V59 HydrophobicContact CD1-CG2 4.38Å; L44-V59 HydrophobicContact CD2-CG2 4.19Å; L44-F62 HydrophobicContact CB-CE2 4.37Å; L44-F62 HydrophobicContact CB-CZ 4.4Å; L44-F62 HydrophobicContact CD1-CB 3.63Å; L44-F62 HydrophobicContact CD1-CD1 3.93Å; L44-F62 HydrophobicContact CD1-CD2 3.95Å; L44-F62 HydrophobicContact CD1-CG 3.56Å |
| 45 | T | 92.9 | Very high | 92 | Very high | 98 Ų | 98 | 74.9 Ų | 74.9 | 60% | 0.601 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -68 | -43.1 | 176.5 | -56.9 | 0 | 0 | 0 | 0 | 111.1 | F41 Q42 R48 G49 | F41-T45 VanDerWaalsContact O-CB 3.31Å; F41-T45 WeakPolarHBondContact O-CB 3.41Å; F41-T45 PolarHBondContact O-N 3.38Å; F41-T45 PolarHBondContact O-OG1 3.36Å; Q42-T45 PolarHBondContact O-N 3.5Å; T45-R48 WeakPolarHBondContact O-CB 3.18Å; T45-R48 PolarHBondContact O-N 2.82Å; T45-G49 PolarHBondContact O-N 2.81Å |
| 46 | M | 92.4 | Very high | 91.9 | Very high | 131 Ų | 131 | 72.9 Ų | 72.9 | 65% | 0.645 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -63.5 | -40.4 | 174.2 | -169.4 | -176.7 | -60.4 | 0 | 0 | 112 | Q42 E43 G49 | Q42-M46 WeakPolarHBondContact O-CB 3.44Å; Q42-M46 PolarHBondContact O-N 3Å; E43-M46 PolarHBondContact O-N 3.13Å; M46-G49 PolarHBondContact O-N 2.95Å |
| 47 | Y | 92.5 | Very high | 91.8 | Very high | 71 Ų | 71 | 74.6 Ų | 74.6 | 28% | 0.278 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -67.8 | -34.5 | 176.1 | 178.8 | -103.2 | 0 | 0 | 0 | 112.7 | E43 L44 L58 Q61 F62 I65 | E43-Y47 WeakPolarHBondContact O-CB 3.29Å; E43-Y47 PolarHBondContact O-N 2.89Å; L44-Y47 PolarHBondContact O-N 3.42Å; Y47-L58 HydrophobicContact CD1-CD1 3.77Å; Y47-L58 HydrophobicContact CE1-CD1 4Å; Y47-Q61 HydrophobicContact CE1-CB 4.17Å; Y47-Q61 WeakPolarHBondContact OH-CB 3.34Å; Y47-F62 HydrophobicContact CD1-CB 3.87Å; Y47-F62 AromaticContact CD1-CD2 3.78Å; Y47-F62 HydrophobicContact CD1-CD2 3.78Å; Y47-F62 HydrophobicContact CD1-CG 4.33Å; Y47-F62 HydrophobicContact CE1-CB 4.11Å; Y47-F62 AromaticContact CG-CD2 3.73Å; Y47-F62 HydrophobicContact CG-CD2 3.73Å; Y47-I65 HydrophobicContact CE2-CD1 4.34Å; Y47-I65 WeakPolarHBondContact OH-CD1 3.39Å |
| 48 | R | 92.9 | Very high | 91.7 | Very high | 128 Ų | 128 | 74.1 Ų | 74.1 | 48% | 0.483 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -62.2 | -47.9 | 171.1 | -172 | -176.4 | 178.9 | -164.6 | 0.5 | 111 | L44 T45 N50 T51 L58 | L44-R48 WeakPolarHBondContact O-CB 3.46Å; L44-R48 PolarHBondContact O-N 3.29Å; T45-R48 WeakPolarHBondContact O-CB 3.18Å; T45-R48 PolarHBondContact O-N 2.82Å; R48-N50 PolarHBondContact O-N 3.32Å; R48-T51 WeakPolarHBondContact O-CB 3.44Å; R48-T51 WeakPolarHBondContact O-CG2 3.3Å; R48-T51 PolarHBondContact O-N 3.34Å; R48-T51 PolarHBondContact O-OG1 2.98Å; R48-L58 HydrophobicContact CB-CD1 3.84Å; R48-L58 HydrophobicContact CB-CD2 3.89Å; R48-L58 HydrophobicContact CG-CD1 4.12Å; R48-L58 HydrophobicContact CG-CD2 3.84Å |
| 49 | G | 85.5 | Confident | 91.6 | Very high | 57 Ų | 57 | 71.4 Ų | 71.4 | 59% | 0.588 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.9 | -123 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | T45 M46 | T45-G49 PolarHBondContact O-N 2.81Å; M46-G49 PolarHBondContact O-N 2.95Å |
| 50 | N | 74.8 | Confident | 91.6 | Very high | 162 Ų | 162 | 75.5 Ų | 75.5 | 87% | 0.866 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | 11.9 | 175.6 | 67.3 | -17.4 | 0 | 0 | 0 | 114.3 | R48 | R48-N50 PolarHBondContact O-N 3.32Š|
| 51 | T | 81.8 | Confident | 91.4 | Very high | 56 Ų | 56 | 78.5 Ų | 78.5 | 34% | 0.344 | 40% | 0.404 | S | S | . | . | trans | -74.3 | 134.8 | -177.6 | 64.9 | 0 | 0 | 0 | 0 | 112.6 | R48 M53 | R48-T51 WeakPolarHBondContact O-CB 3.44Å; R48-T51 WeakPolarHBondContact O-CG2 3.3Å; R48-T51 PolarHBondContact O-N 3.34Å; R48-T51 PolarHBondContact O-OG1 2.98Å; T51-M53 PolarHBondContact O-N 3.03Å | ||
| 52 | T | 86.9 | Confident | 91.4 | Very high | 145 Ų | 145 | 75.1 Ų | 75.1 | 89% | 0.89 | 39% | 0.389 | S | S | * | . | trans | -82.2 | 21.2 | 173.5 | 49.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 53 | M | 90.9 | Very high | 91.2 | Very high | 71 Ų | 71 | 70.5 Ų | 70.5 | 35% | 0.35 | 37% | 0.367 | S | S | . | . | trans | -64.1 | 137.8 | -177.5 | -164.8 | 64.2 | 59.1 | 0 | 0 | 111.1 | T51 D57 L58 Q61 | T51-M53 PolarHBondContact O-N 3.03Å; M53-D57 HydrophobicContact CG-CB 4.1Å; M53-D57 HydrophobicContact SD-CB 3.81Å; M53-L58 HydrophobicContact CB-CB 4.27Å; M53-L58 HydrophobicContact CG-CB 4.01Å; M53-Q61 PolarHBondContact SD-NE2 3.19Å | ||
| 54 | D | 92.7 | Very high | 91.1 | Very high | 58 Ų | 58 | 74.8 Ų | 74.8 | 31% | 0.31 | 39% | 0.387 | S | S | . | . | trans | -60.3 | 143 | 169.8 | -179.7 | 85 | 0 | 0 | 0 | 110.1 | Y12 K56 D57 L58 | Y12-D54 VanDerWaalsContact CE1-OD1 3.23Å; Y12-D54 WeakPolarHBondContact CE1-OD1 3.43Å; Y12-D54 PolarHBondContact OH-OD1 2.92Å; Y12-D54 PolarHBondContact OH-OD2 3.31Å; D54-K56 PolarHBondContact O-N 2.99Å; D54-K56 VanDerWaalsContact O-N 3.07Å; D54-K56 WeakPolarHBondContact OD2-CB 3.25Å; D54-K56 WeakPolarHBondContact OD2-CD 3.21Å; D54-K56 WeakPolarHBondContact OD2-CG 3.38Å; D54-K56 PolarHBondContact OD2-N 2.82Å; D54-D57 PolarHBondContact O-N 3.33Å; D54-D57 VanDerWaalsContact O-N 3.1Å; D54-L58 WeakPolarHBondContact O-CB 3.49Å; D54-L58 PolarHBondContact O-N 3.49Å | ||
| 55 | I | 93.5 | Very high | 90.8 | Very high | 39 Ų | 39 | 78.1 Ų | 78.1 | 20% | 0.2 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -51.8 | -32.9 | -179.1 | -173.2 | 57.2 | 0 | 0 | 0 | 113.5 | Y12 G13 L58 V59 | Y12-I55 HydrophobicContact CD1-CG2 3.98Å; Y12-I55 HydrophobicContact CE1-CG2 3.53Å; G13-I55 VanDerWaalsContact CA-CG2 3.47Å; I55-L58 HydrophobicContact CD1-CD2 4.25Å; I55-V59 HydrophobicContact CD1-CG2 4.1Å; I55-V59 WeakPolarHBondContact O-CB 3.32Å; I55-V59 VanDerWaalsContact O-CG2 3.25Å; I55-V59 WeakPolarHBondContact O-CG2 3.21Å; I55-V59 PolarHBondContact O-N 3.01Å |
| 56 | K | 93.3 | Very high | 90.5 | Very high | 98 Ų | 98 | 76 Ų | 76 | 43% | 0.426 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -70.8 | -48.7 | 178.4 | -60.9 | 158.8 | -176.8 | 153.5 | 0 | 111.7 | Y12 T16 D54 L58 K60 | Y12-K56 WeakPolarHBondContact OH-CE 3.49Å; Y12-K56 PolarHBondContact OH-NZ 3.32Å; T16-K56 HydrophobicContact CG2-CB 4.33Å; T16-K56 HydrophobicContact CG2-CG 4.11Å; D54-K56 PolarHBondContact O-N 2.99Å; D54-K56 VanDerWaalsContact O-N 3.07Å; D54-K56 WeakPolarHBondContact OD2-CB 3.25Å; D54-K56 WeakPolarHBondContact OD2-CD 3.21Å; D54-K56 WeakPolarHBondContact OD2-CG 3.38Å; D54-K56 PolarHBondContact OD2-N 2.82Å; K56-L58 VanDerWaalsContact C-N 3.35Å; K56-K60 WeakPolarHBondContact O-CB 3.5Å; K56-K60 PolarHBondContact O-N 2.92Å |
| 57 | D | 94.6 | Very high | 90.1 | Very high | 66 Ų | 66 | 69.9 Ų | 69.9 | 35% | 0.353 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -75 | -26.2 | 179.3 | -75.8 | -55.6 | 0 | 0 | 0 | 112.3 | M53 D54 K60 Q61 | M53-D57 HydrophobicContact CG-CB 4.1Å; M53-D57 HydrophobicContact SD-CB 3.81Å; D54-D57 PolarHBondContact O-N 3.33Å; D54-D57 VanDerWaalsContact O-N 3.1Å; D57-K60 IonicContact OD1-NZ 3.27Å; D57-K60 PolarHBondContact OD1-NZ 3.47Å; D57-Q61 WeakPolarHBondContact O-CB 3.19Å; D57-Q61 WeakPolarHBondContact O-CG 3.1Å; D57-Q61 PolarHBondContact O-N 2.96Å; D57-Q61 PolarHBondContact O-NE2 3.11Å; D57-Q61 VanDerWaalsContact O-NE2 3.1Å |
| 58 | L | 95 | Very high | 89.6 | Confident | 6 Ų | 6 | 71 Ų | 71 | 3% | 0.031 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -63.3 | -55.7 | 168.6 | 177.3 | 68.3 | 0 | 0 | 0 | 111 | L44 Y47 R48 M53 D54 I55 K56 K60 Q61 F62 | L44-L58 HydrophobicContact CD1-CD2 4.39Å; L44-L58 HydrophobicContact CD1-CG 4.08Å; Y47-L58 HydrophobicContact CD1-CD1 3.77Å; Y47-L58 HydrophobicContact CE1-CD1 4Å; R48-L58 HydrophobicContact CB-CD1 3.84Å; R48-L58 HydrophobicContact CB-CD2 3.89Å; R48-L58 HydrophobicContact CG-CD1 4.12Å; R48-L58 HydrophobicContact CG-CD2 3.84Å; M53-L58 HydrophobicContact CB-CB 4.27Å; M53-L58 HydrophobicContact CG-CB 4.01Å; D54-L58 WeakPolarHBondContact O-CB 3.49Å; D54-L58 PolarHBondContact O-N 3.49Å; I55-L58 HydrophobicContact CD1-CD2 4.25Å; K56-L58 VanDerWaalsContact C-N 3.35Å; L58-K60 VanDerWaalsContact C-N 3.3Å; L58-K60 PolarHBondContact O-N 3.13Å; L58-Q61 PolarHBondContact O-N 3.34Å; L58-F62 VanDerWaalsContact O-CB 3.29Å; L58-F62 WeakPolarHBondContact O-CB 3.46Å; L58-F62 PolarHBondContact O-N 2.93Å |
| 59 | V | 94.6 | Very high | 89.1 | Confident | 6 Ų | 6 | 70.7 Ų | 70.7 | 4% | 0.036 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -61.2 | -40.4 | 179.3 | 168.6 | 0 | 0 | 0 | 0 | 111 | T16 L17 L44 I55 F62 H63 | T16-V59 HydrophobicContact CG2-CB 4.32Å; T16-V59 HydrophobicContact CG2-CG1 4.34Å; L17-V59 HydrophobicContact CD1-CG2 4.37Å; L44-V59 HydrophobicContact CD1-CG2 4.38Å; L44-V59 HydrophobicContact CD2-CG2 4.19Å; I55-V59 HydrophobicContact CD1-CG2 4.1Å; I55-V59 WeakPolarHBondContact O-CB 3.32Å; I55-V59 VanDerWaalsContact O-CG2 3.25Å; I55-V59 WeakPolarHBondContact O-CG2 3.21Å; I55-V59 PolarHBondContact O-N 3.01Å; V59-F62 PolarHBondContact O-N 3.48Å; V59-H63 PolarHBondContact O-N 3.29Å; V59-H63 PolarHBondContact O-ND1 2.95Å |
| 60 | K | 93.7 | Very high | 89 | Confident | 129 Ų | 129 | 71.8 Ų | 71.8 | 56% | 0.561 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -62.9 | -47 | 177.3 | 176.8 | -178.6 | 162.8 | -160.1 | 0 | 113 | K56 D57 L58 H63 Q64 | K56-K60 WeakPolarHBondContact O-CB 3.5Å; K56-K60 PolarHBondContact O-N 2.92Å; D57-K60 IonicContact OD1-NZ 3.27Å; D57-K60 PolarHBondContact OD1-NZ 3.47Å; L58-K60 VanDerWaalsContact C-N 3.3Å; L58-K60 PolarHBondContact O-N 3.13Å; K60-H63 PolarHBondContact O-N 3.45Å; K60-Q64 PolarHBondContact O-N 2.88Å; K60-Q64 VanDerWaalsContact O-N 3.13Å |
| 61 | Q | 92.9 | Very high | 88.6 | Confident | 63 Ų | 63 | 66.5 Ų | 66.5 | 29% | 0.294 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -69.2 | -39.4 | 176.5 | -74.2 | 174.1 | 89.5 | 0 | 0 | 112 | Y47 M53 D57 L58 H63 Q64 I65 | Y47-Q61 HydrophobicContact CE1-CB 4.17Å; Y47-Q61 WeakPolarHBondContact OH-CB 3.34Å; M53-Q61 PolarHBondContact SD-NE2 3.19Å; D57-Q61 WeakPolarHBondContact O-CB 3.19Å; D57-Q61 WeakPolarHBondContact O-CG 3.1Å; D57-Q61 PolarHBondContact O-N 2.96Å; D57-Q61 PolarHBondContact O-NE2 3.11Å; D57-Q61 VanDerWaalsContact O-NE2 3.1Å; L58-Q61 PolarHBondContact O-N 3.34Å; Q61-H63 VanDerWaalsContact C-N 3.29Å; Q61-H63 PolarHBondContact O-N 3.35Å; Q61-Q64 PolarHBondContact O-N 3.36Å; Q61-I65 WeakPolarHBondContact O-CB 3.32Å; Q61-I65 WeakPolarHBondContact O-CG1 3.44Å; Q61-I65 PolarHBondContact O-N 3.1Å |
| 62 | F | 94.1 | Very high | 87.8 | Confident | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -57.9 | -41.9 | 173.7 | -177.1 | -98.1 | 0 | 0 | 0 | 111.7 | Y40 E43 L44 Y47 L58 V59 I65 K66 V67 W70 | Y40-F62 AromaticContact CD2-CE1 3.73Å; Y40-F62 HydrophobicContact CD2-CE1 3.73Å; Y40-F62 AromaticContact CE2-CD1 3.91Å; Y40-F62 HydrophobicContact CE2-CD1 3.91Å; Y40-F62 AromaticContact CE2-CE1 3.53Å; Y40-F62 HydrophobicContact CE2-CE1 3.53Å; E43-F62 VanDerWaalsContact C-CE2 3.5Å; E43-F62 HydrophobicContact CB-CE2 3.94Å; E43-F62 HydrophobicContact CB-CZ 3.79Å; E43-F62 WeakPolarHBondContact O-CE2 3.35Å; L44-F62 HydrophobicContact CB-CE2 4.37Å; L44-F62 HydrophobicContact CB-CZ 4.4Å; L44-F62 HydrophobicContact CD1-CB 3.63Å; L44-F62 HydrophobicContact CD1-CD1 3.93Å; L44-F62 HydrophobicContact CD1-CD2 3.95Å; L44-F62 HydrophobicContact CD1-CG 3.56Å; Y47-F62 HydrophobicContact CD1-CB 3.87Å; Y47-F62 AromaticContact CD1-CD2 3.78Å; Y47-F62 HydrophobicContact CD1-CD2 3.78Å; Y47-F62 HydrophobicContact CD1-CG 4.33Å; Y47-F62 HydrophobicContact CE1-CB 4.11Å; Y47-F62 AromaticContact CG-CD2 3.73Å; Y47-F62 HydrophobicContact CG-CD2 3.73Å; L58-F62 VanDerWaalsContact O-CB 3.29Å; L58-F62 WeakPolarHBondContact O-CB 3.46Å; L58-F62 PolarHBondContact O-N 2.93Å; V59-F62 PolarHBondContact O-N 3.48Å; F62-I65 PolarHBondContact O-N 3.46Å; F62-K66 HydrophobicContact CD2-CB 3.98Å; F62-K66 HydrophobicContact CD2-CG 3.86Å; F62-K66 HydrophobicContact CE1-CB 4.34Å; F62-K66 HydrophobicContact CE2-CB 3.73Å; F62-K66 HydrophobicContact CE2-CD 4.46Å; F62-K66 HydrophobicContact CE2-CG 3.73Å; F62-K66 HydrophobicContact CG-CB 4.41Å; F62-K66 HydrophobicContact CZ-CB 3.93Å; F62-K66 HydrophobicContact CZ-CG 4.42Å; F62-K66 WeakPolarHBondContact O-CA 3.32Å; F62-K66 WeakPolarHBondContact O-CB 3.49Å; F62-K66 PolarHBondContact O-N 2.83Å; F62-V67 HydrophobicContact CD1-CG2 3.88Å; F62-V67 HydrophobicContact CE1-CG2 3.73Å; F62-V67 PolarHBondContact O-N 2.66Å; F62-W70 HydrophobicContact CE1-CH2 4.48Å; F62-W70 HydrophobicContact CZ-CH2 4.24Å; F62-W70 HydrophobicContact CZ-CZ2 4.39Å |
| 63 | H | 92.5 | Very high | 86.2 | Confident | 35 Ų | 35 | 65.6 Ų | 65.6 | 16% | 0.162 | 33% | 0.327 | C | S | . | . | I | π-helix | trans | -61.2 | -49.9 | 173.9 | -84.6 | 76.3 | 0 | 0 | 0 | 112.5 | G20 Y40 V59 K60 Q61 I65 V67 E68 | G20-H63 WeakPolarHBondContact CA-CE1 3.28Å; G20-H63 PolarHBondContact O-CE1 3.08Å; G20-H63 PolarHBondContact O-NE2 3.04Å; Y40-H63 PolarHBondContact OH-CE1 2.75Å; Y40-H63 VanDerWaalsContact OH-CE1 3.32Å; V59-H63 PolarHBondContact O-N 3.29Å; V59-H63 PolarHBondContact O-ND1 2.95Å; K60-H63 PolarHBondContact O-N 3.45Å; Q61-H63 VanDerWaalsContact C-N 3.29Å; Q61-H63 PolarHBondContact O-N 3.35Å; H63-I65 VanDerWaalsContact C-N 3.26Å; H63-I65 PolarHBondContact O-N 3.22Å; H63-V67 PolarHBondContact O-N 3.5Å; H63-E68 PolarHBondContact O-N 3.19Å |
| 64 | Q | 90.3 | Very high | 83.5 | Confident | 142 Ų | 142 | 68.5 Ų | 68.5 | 66% | 0.664 | 35% | 0.349 | S | S | * | . | I | π-helix | trans | -62.7 | -30.2 | -177.5 | -171 | 174.6 | 12.5 | 0 | 0 | 113.4 | K60 Q61 E68 | K60-Q64 PolarHBondContact O-N 2.88Å; K60-Q64 VanDerWaalsContact O-N 3.13Å; Q61-Q64 PolarHBondContact O-N 3.36Å; Q64-E68 WeakPolarHBondContact O-CB 3.46Å |
| 65 | I | 88 | Confident | 80.6 | Confident | 79 Ų | 79 | 71.3 Ų | 71.3 | 41% | 0.405 | 37% | 0.368 | S | S | . | . | I | π-helix | trans | -104 | -40.7 | -172.6 | -63.4 | 166.3 | 0 | 0 | 0 | 112.6 | Y47 Q61 F62 H63 K69 | Y47-I65 HydrophobicContact CE2-CD1 4.34Å; Y47-I65 WeakPolarHBondContact OH-CD1 3.39Å; Q61-I65 WeakPolarHBondContact O-CB 3.32Å; Q61-I65 WeakPolarHBondContact O-CG1 3.44Å; Q61-I65 PolarHBondContact O-N 3.1Å; F62-I65 PolarHBondContact O-N 3.46Å; H63-I65 VanDerWaalsContact C-N 3.26Å; H63-I65 PolarHBondContact O-N 3.22Å; I65-K69 WeakPolarHBondContact O-CG 3.4Å |
| 66 | K | 87.9 | Confident | 77.8 | Confident | 54 Ų | 54 | 75.8 Ų | 75.8 | 24% | 0.235 | 40% | 0.399 | C | S | . | . | I | π-helix | trans | -104.9 | -55 | -171.9 | -63.8 | -90.5 | -87.3 | -175 | 0 | 111.9 | E43 F62 E68 K69 W70 | E43-K66 WeakPolarHBondContact OE1-CE 3.45Å; E43-K66 IonicContact OE1-NZ 3.06Å; E43-K66 PolarHBondContact OE1-NZ 3.49Å; E43-K66 WeakPolarHBondContact OE2-CE 3.23Å; E43-K66 IonicContact OE2-NZ 2.7Å; E43-K66 PolarHBondContact OE2-NZ 2.66Å; F62-K66 HydrophobicContact CD2-CB 3.98Å; F62-K66 HydrophobicContact CD2-CG 3.86Å; F62-K66 HydrophobicContact CE1-CB 4.34Å; F62-K66 HydrophobicContact CE2-CB 3.73Å; F62-K66 HydrophobicContact CE2-CD 4.46Å; F62-K66 HydrophobicContact CE2-CG 3.73Å; F62-K66 HydrophobicContact CG-CB 4.41Å; F62-K66 HydrophobicContact CZ-CB 3.93Å; F62-K66 HydrophobicContact CZ-CG 4.42Å; F62-K66 WeakPolarHBondContact O-CA 3.32Å; F62-K66 WeakPolarHBondContact O-CB 3.49Å; F62-K66 PolarHBondContact O-N 2.83Å; K66-E68 VanDerWaalsContact C-N 3.29Å; K66-E68 PolarHBondContact O-N 3.39Å; K66-K69 WeakPolarHBondContact O-CA 3.49Å; K66-K69 PolarHBondContact O-N 2.86Å; K66-W70 PolarHBondContact O-N 2.83Å |
| 67 | V | 84.5 | Confident | 75.4 | Confident | 2 Ų | 2 | 78 Ų | 78 | 1% | 0.012 | 41% | 0.411 | C | S | . | . | I | π-helix | trans | -64.8 | -34.5 | -178.8 | -174.2 | 0 | 0 | 0 | 0 | 111.4 | A24 Y40 F62 H63 K69 W70 | A24-V67 HydrophobicContact CB-CG1 3.8Å; A24-V67 HydrophobicContact CB-CG2 4.17Å; Y40-V67 HydrophobicContact CE2-CG2 4.17Å; F62-V67 HydrophobicContact CD1-CG2 3.88Å; F62-V67 HydrophobicContact CE1-CG2 3.73Å; F62-V67 PolarHBondContact O-N 2.66Å; H63-V67 PolarHBondContact O-N 3.5Å; V67-K69 PolarHBondContact O-N 2.93Å; V67-W70 HydrophobicContact CG2-CE3 4.32Å; V67-W70 HydrophobicContact CG2-CZ3 4.44Å; V67-W70 PolarHBondContact O-N 2.91Å; V67-W70 VanDerWaalsContact O-N 3.1Å |
| 68 | E | 80.8 | Confident | 72.6 | Confident | 95 Ų | 95 | 83.3 Ų | 83.3 | 44% | 0.444 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -57.9 | -35.9 | 172.7 | -161.3 | 56 | -130.4 | 0 | 0 | 112.5 | K27 H63 Q64 K66 S71 | K27-E68 IonicContact NZ-OE1 2.77Å; K27-E68 PolarHBondContact NZ-OE1 3.01Å; K27-E68 IonicContact NZ-OE2 2.61Å; K27-E68 PolarHBondContact NZ-OE2 3.12Å; H63-E68 PolarHBondContact O-N 3.19Å; Q64-E68 WeakPolarHBondContact O-CB 3.46Å; K66-E68 VanDerWaalsContact C-N 3.29Å; K66-E68 PolarHBondContact O-N 3.39Å; E68-S71 PolarHBondContact O-OG 2.82Å |
| 69 | K | 82.8 | Confident | 69.6 | Low | 121 Ų | 121 | 90.2 Ų | 90.2 | 53% | 0.526 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -83.8 | -7.7 | 178.7 | -61.6 | -68.4 | 146.4 | -169.1 | 0 | 114 | I65 K66 V67 E72 | I65-K69 WeakPolarHBondContact O-CG 3.4Å; K66-K69 WeakPolarHBondContact O-CA 3.49Å; K66-K69 PolarHBondContact O-N 2.86Å; V67-K69 PolarHBondContact O-N 2.93Å; K69-E72 IonicContact NZ-OE2 2.66Å; K69-E72 PolarHBondContact NZ-OE2 3.43Å |
| 70 | W | 82.8 | Confident | 67.3 | Low | 80 Ų | 80 | 98.4 Ų | 98.4 | 30% | 0.303 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -83.7 | -31.2 | 172.9 | -65.6 | -10.2 | 0 | 0 | 0 | 112.5 | T28 F36 Y40 E43 F62 K66 V67 | T28-W70 HydrophobicContact CG2-CB 3.66Å; T28-W70 HydrophobicContact CG2-CE3 4.16Å; F36-W70 HydrophobicContact CE1-CZ3 4.41Å; F36-W70 AromaticContact CE2-CE3 3.65Å; F36-W70 HydrophobicContact CE2-CE3 3.65Å; F36-W70 AromaticContact CE2-CZ3 3.56Å; F36-W70 HydrophobicContact CE2-CZ3 3.56Å; F36-W70 AromaticContact CZ-CE3 3.7Å; F36-W70 HydrophobicContact CZ-CE3 3.7Å; F36-W70 AromaticContact CZ-CZ3 3.5Å; F36-W70 HydrophobicContact CZ-CZ3 3.5Å; F36-W70 VanDerWaalsContact CZ-CZ3 3.5Å; Y40-W70 HydrophobicContact CD2-CH2 4.29Å; Y40-W70 HydrophobicContact CD2-CZ3 4Å; E43-W70 HydrophobicContact CB-CZ2 4.42Å; E43-W70 HydrophobicContact CG-CZ2 4.36Å; F62-W70 HydrophobicContact CE1-CH2 4.48Å; F62-W70 HydrophobicContact CZ-CH2 4.24Å; F62-W70 HydrophobicContact CZ-CZ2 4.39Å; K66-W70 PolarHBondContact O-N 2.83Å; V67-W70 HydrophobicContact CG2-CE3 4.32Å; V67-W70 HydrophobicContact CG2-CZ3 4.44Å; V67-W70 PolarHBondContact O-N 2.91Å; V67-W70 VanDerWaalsContact O-N 3.1Å |
| 71 | S | 67.9 | Low | 64.5 | Low | 51 Ų | 51 | 98.3 Ų | 98.3 | 36% | 0.357 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -75.1 | -22.6 | 170.6 | 42.8 | 0 | 0 | 0 | 0 | 113.7 | K27 E68 G73 | K27-S71 VanDerWaalsContact CE-OG 3.32Å; K27-S71 WeakPolarHBondContact CE-OG 3.31Å; K27-S71 PolarHBondContact NZ-OG 3.47Å; E68-S71 PolarHBondContact O-OG 2.82Å; S71-G73 PolarHBondContact O-N 3.25Å |
| 72 | E | 64.4 | Low | 61.6 | Low | 122 Ų | 122 | 100 Ų | 100 | 57% | 0.57 | 52% | 0.523 | S | S | * | . | S | Bend | trans | -90.4 | 76.2 | 179.2 | -166.8 | 174.6 | -147.4 | 0 | 0 | 110.5 | K69 | K69-E72 IonicContact NZ-OE2 2.66Å; K69-E72 PolarHBondContact NZ-OE2 3.43Å |
| 73 | G | 52.1 | Low | 59 | Low | 60 Ų | 60 | 107.7 Ų | 107.7 | 62% | 0.619 | 56% | 0.564 | S | S | * | * | trans | -60.9 | 143.5 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | S71 | S71-G73 PolarHBondContact O-N 3.25Š| ||
| 74 | T | 35.2 | Very low | 56.5 | Low | 133 Ų | 133 | 115.6 Ų | 115.6 | 82% | 0.816 | 60% | 0.597 | S | S | * | * | S | Bend | trans | 84.1 | 69.5 | 169.3 | -38.8 | 0 | 0 | 0 | 0 | 117 | ||
| 75 | T | 30.7 | Very low | 54 | Low | 116 Ų | 116 | 115.7 Ų | 115.7 | 71% | 0.712 | 60% | 0.598 | S | S | * | * | 170.4 | 140.1 | 109.6 | 34.2 | 0 | 0 | 0 | 0 | 113 | Q77 | T75-Q77 PolarHBondContact O-N 2.82Š| |||
| 76 | P | 36.5 | Very low | 51.7 | Low | 133 Ų | 133 | 118.3 Ų | 118.3 | 86% | 0.864 | 62% | 0.62 | S | S | * | * | trans | -85.2 | 87.3 | 169.1 | 33.9 | -32.3 | 0 | 0 | 0 | 111 | ||||
| 77 | Q | 41.3 | Very low | 49.2 | Very low | 144 Ų | 144 | 118 Ų | 118 | 67% | 0.673 | 63% | 0.631 | S | S | * | * | trans | -134.9 | 136.1 | 170.7 | -81.4 | -142.7 | 20.5 | 0 | 0 | 115.9 | T75 | T75-Q77 PolarHBondContact O-N 2.82Š| ||
| 78 | K | 36.1 | Very low | 46.9 | Very low | 178 Ų | 178 | 126.3 Ų | 126.3 | 77% | 0.774 | 67% | 0.668 | S | S | * | * | trans | 61.7 | 90.9 | 154.1 | -77.7 | 171.1 | 176 | 159 | 0 | 118.8 | L80 | K78-L80 PolarHBondContact O-N 2.94Š| ||
| 79 | K | 33 | Very low | 44.9 | Very low | 151 Ų | 151 | 128.9 Ų | 128.9 | 66% | 0.657 | 69% | 0.69 | S | S | * | * | 55.6 | 67.9 | 117.9 | -155 | -162.6 | -167.3 | -153.9 | 0 | 115.7 | E81 | K79-E81 HydrophobicContact CD-CB 4.32Å; K79-E81 VanDerWaalsContact CE-CD 3.41Å; K79-E81 WeakPolarHBondContact CE-OE1 3.29Å; K79-E81 WeakPolarHBondContact CE-OE2 3.35Å; K79-E81 HydrophobicContact CG-CB 4.04Å; K79-E81 IonicContact NZ-OE1 3.52Å; K79-E81 PolarHBondContact NZ-OE1 3.21Å; K79-E81 IonicContact NZ-OE2 3.76Å; K79-E81 PolarHBondContact NZ-OE2 2.88Å; K79-E81 PolarHBondContact O-N 3.35Å | |||
| 80 | L | 44.7 | Very low | 42.6 | Very low | 178 Ų | 178 | 128.2 Ų | 128.2 | 93% | 0.932 | 70% | 0.701 | S | S | * | * | trans | -78 | 77.2 | 161.1 | -130.3 | 169.6 | 0 | 0 | 0 | 109.4 | K78 | K78-L80 PolarHBondContact O-N 2.94Š| ||
| 81 | E | 35.2 | Very low | 40.6 | Very low | 127 Ų | 127 | 131.3 Ų | 131.3 | 59% | 0.593 | 73% | 0.728 | S | S | * | * | trans | -83.6 | 130.1 | 179.8 | 170.1 | 177.5 | -113.7 | 0 | 0 | 111.2 | K79 | K79-E81 HydrophobicContact CD-CB 4.32Å; K79-E81 VanDerWaalsContact CE-CD 3.41Å; K79-E81 WeakPolarHBondContact CE-OE1 3.29Å; K79-E81 WeakPolarHBondContact CE-OE2 3.35Å; K79-E81 HydrophobicContact CG-CB 4.04Å; K79-E81 IonicContact NZ-OE1 3.52Å; K79-E81 PolarHBondContact NZ-OE1 3.21Å; K79-E81 IonicContact NZ-OE2 3.76Å; K79-E81 PolarHBondContact NZ-OE2 2.88Å; K79-E81 PolarHBondContact O-N 3.35Å | ||
| 82 | C | 33.7 | Very low | 39.4 | Very low | 100 Ų | 100 | 136.5 Ų | 136.5 | 68% | 0.676 | 75% | 0.747 | S | S | * | * | trans | 43.1 | 96 | 155.1 | -152.2 | 0 | 0 | 0 | 0 | 118.3 | K84 | C82-K84 PolarHBondContact O-N 3.02Š| ||
| 83 | L | 37.6 | Very low | 38.4 | Very low | 161 Ų | 161 | 136.2 Ų | 136.2 | 84% | 0.843 | 76% | 0.758 | S | S | * | * | 29 | 97.7 | 117.7 | -151.7 | 177.7 | 0 | 0 | 0 | 115.3 | |||||
| 84 | K | 40 | Very low | 38.3 | Very low | 201 Ų | 201 | 142.2 Ų | 142.2 | 87% | 0.874 | 77% | 0.767 | S | S | * | * | trans | -139.4 | 131.3 | 166.2 | -129.4 | 174.2 | -174.7 | 178.7 | 0 | 113 | C82 | C82-K84 PolarHBondContact O-N 3.02Š| ||
| 85 | E | 38 | Very low | 38.5 | Very low | 144 Ų | 144 | 141.9 Ų | 141.9 | 67% | 0.673 | 77% | 0.765 | S | S | * | * | trans | -57.7 | 140 | -179.4 | -176.7 | -161.8 | 165.1 | 0 | 0 | 112.7 | G87 | E85-G87 PolarHBondContact O-N 3.47Š| ||
| 86 | P | 39.6 | Very low | 39.5 | Very low | 134 Ų | 134 | 142.1 Ų | 142.1 | 87% | 0.87 | 77% | 0.768 | S | S | * | * | trans | -75 | 69.9 | 171.9 | 32.1 | -34.9 | 0 | 0 | 0 | 112 | K88 | P86-K88 PolarHBondContact O-N 3.47Š| ||
| 87 | G | 36 | Very low | 39.9 | Very low | 46 Ų | 46 | 141.3 Ų | 141.3 | 47% | 0.474 | 76% | 0.761 | S | S | . | * | trans | -84.2 | 80.3 | -172.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | E85 | E85-G87 PolarHBondContact O-N 3.47Š| ||
| 88 | K | 37.5 | Very low | 40.5 | Very low | 178 Ų | 178 | 142.6 Ų | 142.6 | 77% | 0.774 | 77% | 0.767 | S | S | * | * | trans | 40.1 | 85.1 | 139.7 | 55.8 | -175 | 167 | -161.6 | 0 | 120.1 | P86 | P86-K88 PolarHBondContact O-N 3.47Š| ||
| 89 | T | 37 | Very low | 41.2 | Very low | 148 Ų | 148 | 141.3 Ų | 141.3 | 91% | 0.908 | 77% | 0.766 | S | S | * | * | trans | -158.8 | 132.4 | 133.4 | 18.8 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 90 | S | 34.7 | Very low | 42.4 | Very low | 108 Ų | 108 | 141.9 Ų | 141.9 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | trans | -64.2 | 150.7 | 173 | 178.4 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 91 | V | 41.7 | Very low | 43 | Very low | 145 Ų | 145 | 142.7 Ų | 142.7 | 88% | 0.879 | 77% | 0.767 | S | S | * | * | -163.6 | 149.6 | 119.6 | 142 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 92 | E | 42.7 | Very low | 44.1 | Very low | 159 Ų | 159 | 141.7 Ų | 141.7 | 74% | 0.743 | 77% | 0.774 | S | S | * | * | trans | -93.8 | 145.7 | -169.5 | 174.9 | -164.2 | 156 | 0 | 0 | 114 | ||||
| 93 | S | 42.8 | Very low | 45.4 | Very low | 116 Ų | 116 | 142.7 Ų | 142.7 | 81% | 0.811 | 78% | 0.777 | S | S | * | * | trans | -167.4 | 117 | 144.7 | 51.9 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 94 | K | 51 | Low | 46.4 | Very low | 186 Ų | 186 | 142 Ų | 142 | 81% | 0.809 | 77% | 0.774 | S | S | * | * | trans | 3 | 143.5 | 156.2 | -64.8 | -179 | 175.8 | 179.1 | 0 | 123.8 | ||||
| 95 | V | 37.7 | Very low | 47.8 | Very low | 126 Ų | 126 | 139 Ų | 139 | 76% | 0.764 | 77% | 0.773 | S | S | * | * | trans | -82.2 | 146.7 | 155.1 | 172.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 96 | P | 51.9 | Low | 49 | Very low | 121 Ų | 121 | 139 Ų | 139 | 79% | 0.786 | 78% | 0.777 | S | S | * | * | trans | -123.8 | 178.5 | 151.2 | 22 | -1.3 | 0 | 0 | 0 | 113.5 | ||||
| 97 | T | 45.8 | Very low | 50 | Low | 117 Ų | 117 | 140.8 Ų | 140.8 | 72% | 0.718 | 77% | 0.774 | S | S | * | * | trans | -141.4 | 160.4 | -163.2 | -62.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 98 | Q | 53.2 | Low | 51.3 | Low | 171 Ų | 171 | 145.3 Ų | 145.3 | 80% | 0.799 | 79% | 0.788 | S | S | * | * | trans | 69.7 | 157.2 | -180 | -74.3 | 163.4 | 10.3 | 0 | 0 | 115 | ||||
| 99 | M | 51.3 | Low | 52.1 | Low | 151 Ų | 151 | 143.7 Ų | 143.7 | 74% | 0.744 | 79% | 0.787 | S | S | * | * | cis | -149.9 | -171.6 | 0.6 | -133.8 | 161.6 | 76.7 | 0 | 0 | 113.7 | ||||
| 100 | E | 58.6 | Low | 53.2 | Low | 162 Ų | 162 | 142.5 Ų | 142.5 | 76% | 0.757 | 78% | 0.779 | S | S | * | * | trans | -63.5 | 136 | -162.3 | -62.1 | 158.4 | 111.2 | 0 | 0 | 120.8 | ||||
| 101 | K | 57.5 | Low | 54.2 | Low | 195 Ų | 195 | 143 Ų | 143 | 85% | 0.848 | 78% | 0.779 | S | S | * | * | trans | 16.8 | 121.5 | 133.5 | -173.3 | -174.9 | 179.1 | -176.5 | 0 | 121.7 | ||||
| 102 | S | 57.8 | Low | 54.5 | Low | 107 Ų | 107 | 145.1 Ų | 145.1 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | trans | -161.6 | 129.1 | 140.7 | -81 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 103 | T | 60.6 | Low | 55 | Low | 120 Ų | 120 | 144.2 Ų | 144.2 | 74% | 0.736 | 78% | 0.776 | S | S | * | * | 63.6 | 94.6 | 95.2 | -40.2 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 104 | D | 58 | Low | 55.6 | Low | 147 Ų | 147 | 144.7 Ų | 144.7 | 79% | 0.786 | 77% | 0.765 | S | S | * | * | 71.6 | 108.5 | 74.2 | -175.8 | 34.7 | 0 | 0 | 0 | 114.2 | |||||
| 105 | T | 70.3 | Confident | 55.6 | Low | 139 Ų | 139 | 146.4 Ų | 146.4 | 85% | 0.853 | 77% | 0.769 | S | S | * | * | trans | -170.7 | 146.7 | 161.9 | -66.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 106 | D | 63.2 | Low | 56.4 | Low | 143 Ų | 143 | 145.5 Ų | 145.5 | 77% | 0.765 | 77% | 0.767 | S | S | * | * | trans | -104.6 | -178 | -178.6 | -168.4 | 13 | 0 | 0 | 0 | 111.9 | ||||
| 107 | E | 60.5 | Low | 56.2 | Low | 171 Ų | 171 | 147.3 Ų | 147.3 | 80% | 0.799 | 77% | 0.771 | S | S | * | * | trans | 72.2 | 112.2 | 166.1 | -50.7 | -170.6 | 121.6 | 0 | 0 | 118.8 | ||||
| 108 | D | 62.9 | Low | 57.2 | Low | 142 Ų | 142 | 151.1 Ų | 151.1 | 76% | 0.759 | 78% | 0.777 | S | S | * | * | -172 | 158.5 | 106.7 | -167.2 | 19.6 | 0 | 0 | 0 | 111.4 | |||||
| 109 | N | 54.2 | Low | 57.2 | Low | 143 Ų | 143 | 149 Ų | 149 | 77% | 0.765 | 78% | 0.776 | S | S | * | * | trans | -135 | 105.8 | -169.7 | -58.7 | -97.9 | 0 | 0 | 0 | 112.9 | ||||
| 110 | V | 61.6 | Low | 57.7 | Low | 123 Ų | 123 | 147.7 Ų | 147.7 | 75% | 0.745 | 78% | 0.777 | S | S | * | * | trans | -144.9 | 121.5 | 170 | -92.9 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 111 | T | 54.6 | Low | 57.9 | Low | 120 Ų | 120 | 148.4 Ų | 148.4 | 74% | 0.736 | 78% | 0.78 | S | S | * | * | trans | 66.7 | 84.1 | 134 | -46.2 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 112 | R | 47.7 | Very low | 57.2 | Low | 188 Ų | 188 | 148.7 Ų | 148.7 | 71% | 0.709 | 78% | 0.782 | S | S | * | * | 28.1 | 123.3 | 116.6 | -171.2 | -176 | -169.5 | 171.7 | 0.9 | 118.5 | E114 | R112-E114 HydrophobicContact CG-CG 4.21Å; R112-E114 IonicContact CZ-OE1 3.13Å; R112-E114 IonicContact NE-OE1 2.81Å; R112-E114 PolarHBondContact NE-OE1 2.8Å; R112-E114 IonicContact NH2-OE1 2.65Å; R112-E114 PolarHBondContact NH2-OE1 3.27Å | |||
| 113 | T | 52.8 | Low | 57.4 | Low | 140 Ų | 140 | 149.4 Ų | 149.4 | 86% | 0.859 | 78% | 0.784 | S | S | * | * | trans | -141.7 | 139.7 | 144 | -69.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 114 | E | 55.6 | Low | 57 | Low | 126 Ų | 126 | 149.2 Ų | 149.2 | 59% | 0.589 | 79% | 0.788 | S | S | * | * | trans | -109.1 | 152.6 | -170.4 | -58.3 | 170 | 157.8 | 0 | 0 | 110.9 | R112 | R112-E114 HydrophobicContact CG-CG 4.21Å; R112-E114 IonicContact CZ-OE1 3.13Å; R112-E114 IonicContact NE-OE1 2.81Å; R112-E114 PolarHBondContact NE-OE1 2.8Å; R112-E114 IonicContact NH2-OE1 2.65Å; R112-E114 PolarHBondContact NH2-OE1 3.27Å | ||
| 115 | Y | 51.9 | Low | 57 | Low | 223 Ų | 223 | 148.7 Ų | 148.7 | 88% | 0.875 | 79% | 0.79 | S | S | * | * | trans | -155.2 | 112.5 | 156.4 | -124.1 | -80.8 | 0 | 0 | 0 | 115 | ||||
| 116 | S | 54.7 | Low | 55.8 | Low | 106 Ų | 106 | 153.2 Ų | 153.2 | 74% | 0.741 | 79% | 0.793 | S | S | * | * | trans | 56.3 | 106.7 | 154.3 | -62.7 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 117 | D | 47 | Very low | 55 | Low | 159 Ų | 159 | 151 Ų | 151 | 85% | 0.85 | 79% | 0.794 | S | S | * | * | trans | -68.6 | 157.3 | 151.3 | -79.9 | -64.2 | 0 | 0 | 0 | 114.2 | ||||
| 118 | K | 67.5 | Low | 54 | Low | 197 Ų | 197 | 149.3 Ų | 149.3 | 86% | 0.857 | 80% | 0.795 | S | S | * | * | trans | -171.9 | 100.4 | 135.7 | 47.4 | -173.2 | 175.8 | -177.9 | 0 | 115 | ||||
| 119 | T | 53.8 | Low | 53.1 | Low | 127 Ų | 127 | 148.4 Ų | 148.4 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | trans | 35.3 | 121.8 | 133.7 | -51.5 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 120 | T | 61.6 | Low | 52.4 | Low | 124 Ų | 124 | 144.8 Ų | 144.8 | 76% | 0.761 | 79% | 0.794 | S | S | * | * | -165.2 | 109.4 | 116.7 | -71.2 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 121 | Q | 61.6 | Low | 51.3 | Low | 177 Ų | 177 | 145.1 Ų | 145.1 | 83% | 0.827 | 80% | 0.796 | S | S | * | * | trans | 37.7 | 116.1 | 142.8 | -162.4 | 168.2 | 73.9 | 0 | 0 | 121.8 | ||||
| 122 | F | 43.2 | Very low | 50.6 | Low | 200 Ų | 200 | 147 Ų | 147 | 88% | 0.877 | 80% | 0.797 | S | S | * | * | trans | -118.2 | 168 | 149.2 | -74.3 | -82.7 | 0 | 0 | 0 | 109.4 | ||||
| 123 | P | 61.7 | Low | 50.5 | Low | 123 Ų | 123 | 145.2 Ų | 145.2 | 80% | 0.799 | 80% | 0.796 | S | S | * | * | -139.5 | 130.4 | 127.4 | 35 | -22.2 | 0 | 0 | 0 | 114.1 | |||||
| 124 | S | 53.1 | Low | 49.9 | Very low | 116 Ų | 116 | 143.2 Ų | 143.2 | 81% | 0.811 | 78% | 0.784 | S | S | * | * | trans | -93.2 | 143.1 | 163.5 | 55.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 125 | V | 57.7 | Low | 49.3 | Very low | 136 Ų | 136 | 145.9 Ų | 145.9 | 82% | 0.824 | 80% | 0.796 | S | S | * | * | trans | -101.1 | 110.7 | 176.3 | -179.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 126 | Y | 45.7 | Very low | 48.7 | Very low | 234 Ų | 234 | 138.9 Ų | 138.9 | 92% | 0.918 | 79% | 0.785 | S | S | * | * | trans | -150.1 | 126.1 | 158.9 | -106.5 | -85.9 | 0 | 0 | 0 | 107.1 | ||||
| 127 | A | 45.2 | Very low | 48.2 | Very low | 96 Ų | 96 | 140.7 Ų | 140.7 | 79% | 0.793 | 79% | 0.791 | S | S | * | * | trans | -151.9 | 121.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 128 | V | 40.6 | Very low | 47.9 | Very low | 136 Ų | 136 | 136.8 Ų | 136.8 | 82% | 0.824 | 79% | 0.788 | S | S | * | * | trans | -163.2 | 148.3 | -179.3 | 172.7 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 129 | P | 43 | Very low | 46.4 | Very low | 122 Ų | 122 | 130.8 Ų | 130.8 | 79% | 0.792 | 78% | 0.782 | S | S | * | * | cis | -128.1 | -174.8 | -12.2 | 38.3 | -21.2 | 0 | 0 | 0 | 114.9 | ||||
| 130 | G | 39.5 | Very low | 45.8 | Very low | 68 Ų | 68 | 133.4 Ų | 133.4 | 70% | 0.701 | 79% | 0.791 | S | S | * | * | trans | 93.7 | 158.5 | 148.7 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 131 | T | 38.7 | Very low | 44.6 | Very low | 130 Ų | 130 | 132.4 Ų | 132.4 | 80% | 0.798 | 79% | 0.789 | S | S | * | * | cis | -161.9 | 164.7 | -12.7 | -30.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 132 | E | 40.7 | Very low | 43.6 | Very low | 160 Ų | 160 | 129.6 Ų | 129.6 | 75% | 0.748 | 79% | 0.789 | S | S | * | * | trans | 68.1 | 156.8 | 166.5 | -59.6 | -167.3 | 92.8 | 0 | 0 | 116.6 | ||||
| 133 | Q | 44.2 | Very low | 43.4 | Very low | 150 Ų | 150 | 129.8 Ų | 129.8 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | cis | -167.8 | 166.3 | -17 | -106.9 | -156 | 76.8 | 0 | 0 | 106.2 | ||||
| 134 | T | 42 | Very low | 42.6 | Very low | 97 Ų | 97 | 129.3 Ų | 129.3 | 60% | 0.595 | 79% | 0.786 | S | S | * | * | cis | -166.3 | 171.4 | -7.4 | -111.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 135 | E | 42.2 | Very low | 42.1 | Very low | 182 Ų | 182 | 128.6 Ų | 128.6 | 85% | 0.85 | 79% | 0.787 | S | S | * | * | trans | 72.3 | 150.8 | 166.7 | -95.7 | -177.3 | 117.1 | 0 | 0 | 119.2 | ||||
| 136 | A | 39.8 | Very low | 41.1 | Very low | 76 Ų | 76 | 128.7 Ų | 128.7 | 63% | 0.628 | 79% | 0.788 | S | S | * | * | cis | -148.3 | 152.8 | 2.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 137 | V | 43.9 | Very low | 41 | Very low | 145 Ų | 145 | 123.8 Ų | 123.8 | 88% | 0.879 | 79% | 0.785 | S | S | * | * | trans | 37 | 131.3 | 146.1 | -177.3 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 138 | G | 40.3 | Very low | 40.8 | Very low | 77 Ų | 77 | 128.7 Ų | 128.7 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | cis | 147.2 | 163.7 | 8.1 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 139 | G | 36.5 | Very low | 40.8 | Very low | 71 Ų | 71 | 128.9 Ų | 128.9 | 73% | 0.732 | 79% | 0.79 | S | S | * | * | cis | 166.7 | 142.1 | -10.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 140 | L | 39.8 | Very low | 40.7 | Very low | 182 Ų | 182 | 129.3 Ų | 129.3 | 95% | 0.953 | 79% | 0.791 | S | S | * | * | trans | 61.5 | 153.3 | 165.8 | -55.4 | 176.8 | 0 | 0 | 0 | 118.3 | ||||
| 141 | S | 37.6 | Very low | 40.9 | Very low | 103 Ų | 103 | 132.2 Ų | 132.2 | 72% | 0.72 | 80% | 0.795 | S | S | * | * | cis | -170.4 | 173.1 | -22.9 | -173.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 142 | S | 41.3 | Very low | 41.5 | Very low | 118 Ų | 118 | 131.4 Ų | 131.4 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | trans | 99.3 | 135.3 | 156.9 | -50.4 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 143 | K | 37.7 | Very low | 41.8 | Very low | 203 Ų | 203 | 129.9 Ų | 129.9 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | trans | -83.1 | -173.3 | 166 | -128.9 | -178.1 | 174.1 | 177.1 | 0 | 109.5 | ||||
| 144 | P | 45.6 | Very low | 41.7 | Very low | 113 Ų | 113 | 128.2 Ų | 128.2 | 73% | 0.734 | 80% | 0.801 | S | S | * | * | cis | -137.9 | 175.5 | -11.7 | 41.7 | -25 | 0 | 0 | 0 | 115.9 | ||||
| 145 | A | 41.8 | Very low | 42.1 | Very low | 102 Ų | 102 | 128.6 Ų | 128.6 | 84% | 0.843 | 81% | 0.807 | S | S | * | * | trans | 178.5 | 154.3 | 134.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 146 | T | 37.9 | Very low | 42.8 | Very low | 137 Ų | 137 | 125.3 Ų | 125.3 | 84% | 0.84 | 80% | 0.802 | S | S | * | * | trans | -109.4 | 157.4 | 167.9 | 38.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 147 | P | 42.7 | Very low | 43.1 | Very low | 131 Ų | 131 | 126.7 Ų | 126.7 | 85% | 0.851 | 81% | 0.805 | S | S | * | * | -131.6 | 175.6 | 120 | 37.1 | -28.9 | 0 | 0 | 0 | 113.6 | |||||
| 148 | K | 41.9 | Very low | 43.6 | Very low | 199 Ų | 199 | 126.1 Ų | 126.1 | 87% | 0.865 | 80% | 0.804 | S | S | * | * | trans | -97.8 | 153.1 | -173.5 | -52.1 | 169.2 | -178.1 | 176.2 | 0 | 111.5 | ||||
| 149 | T | 39 | Very low | 43.6 | Very low | 141 Ų | 141 | 128 Ų | 128 | 87% | 0.865 | 80% | 0.8 | S | S | * | * | trans | -167.5 | 145 | 134 | -78.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 150 | T | 40.6 | Very low | 43.8 | Very low | 130 Ų | 130 | 129.4 Ų | 129.4 | 80% | 0.798 | 81% | 0.805 | S | S | * | * | trans | -60.9 | 134.2 | -172.9 | -54.2 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 151 | T | 44 | Very low | 43.9 | Very low | 129 Ų | 129 | 126.9 Ų | 126.9 | 79% | 0.791 | 80% | 0.797 | S | S | * | * | trans | -152 | 158 | 142.7 | 12.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 152 | P | 52.4 | Low | 44.2 | Very low | 113 Ų | 113 | 125.5 Ų | 125.5 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 158.8 | -167.6 | 31.3 | -35.8 | 0 | 0 | 0 | 113.5 | S154 | P152-S154 PolarHBondContact O-N 3.49Š|
| 153 | P | 46.5 | Very low | 44.9 | Very low | 129 Ų | 129 | 126.2 Ų | 126.2 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 125.6 | -179.6 | 27.9 | -34.3 | 0 | 0 | 0 | 111.7 | ||
| 154 | S | 41.9 | Very low | 45.9 | Very low | 115 Ų | 115 | 123 Ų | 123 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 145.1 | 162 | -178.6 | 0 | 0 | 0 | 0 | 109.9 | P152 | P152-S154 PolarHBondContact O-N 3.49Š|
| 155 | S | 49.9 | Very low | 46.4 | Very low | 104 Ų | 104 | 126.6 Ų | 126.6 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 141.3 | 178.4 | -50.9 | 0 | 0 | 0 | 0 | 112.1 | ||
| 156 | P | 57.5 | Low | 47.4 | Very low | 113 Ų | 113 | 125.7 Ų | 125.7 | 73% | 0.734 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 149.1 | 169.3 | 29.7 | -34.5 | 0 | 0 | 0 | 110.3 | ||
| 157 | P | 45.6 | Very low | 48.9 | Very low | 106 Ų | 106 | 128.5 Ų | 128.5 | 69% | 0.688 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 155.5 | 167.2 | 30.4 | -35 | 0 | 0 | 0 | 109.9 | T159 | P157-T159 PolarHBondContact O-N 3.45Š|
| 158 | P | 54.5 | Low | 50.5 | Low | 132 Ų | 132 | 127.2 Ų | 127.2 | 86% | 0.857 | 76% | 0.76 | S | S | * | * | trans | -63.4 | 108.3 | 176.4 | 26.4 | -33.4 | 0 | 0 | 0 | 110 | A160 | P158-A160 PolarHBondContact O-N 3.07Š| ||
| 159 | T | 41.8 | Very low | 52.2 | Low | 116 Ų | 116 | 118.4 Ų | 118.4 | 71% | 0.712 | 72% | 0.723 | S | S | * | * | trans | -56.9 | 134.2 | 172.2 | -57.8 | 0 | 0 | 0 | 0 | 109.4 | P157 V161 | P157-T159 PolarHBondContact O-N 3.45Å; T159-V161 PolarHBondContact O-N 3.11Å | ||
| 160 | A | 40.6 | Very low | 54 | Low | 102 Ų | 102 | 116.7 Ų | 116.7 | 84% | 0.843 | 72% | 0.724 | S | S | * | * | trans | -64.9 | 96.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | P158 | P158-A160 PolarHBondContact O-N 3.07Š| ||
| 161 | V | 41.4 | Very low | 56.1 | Low | 128 Ų | 128 | 113.4 Ų | 113.4 | 78% | 0.776 | 70% | 0.701 | S | S | * | * | trans | -76.8 | 141.6 | 174.1 | -77 | 0 | 0 | 0 | 0 | 110.7 | T159 | T159-V161 PolarHBondContact O-N 3.11Š| ||
| 162 | S | 43.9 | Very low | 57.7 | Low | 75 Ų | 75 | 112.3 Ų | 112.3 | 52% | 0.524 | 70% | 0.696 | S | S | . | * | trans | -53.7 | 141.9 | 169 | -172.9 | 0 | 0 | 0 | 0 | 109.9 | E164 | S162-E164 PolarHBondContact O-N 3.4Å; S162-E164 PolarHBondContact OG-OE2 2.87Å | ||
| 163 | P | 56.6 | Low | 59 | Low | 132 Ų | 132 | 110 Ų | 110 | 86% | 0.857 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.7 | 38.9 | -177.7 | 33.6 | -38.1 | 0 | 0 | 0 | 113.5 | ||
| 164 | E | 58.2 | Low | 60.6 | Low | 137 Ų | 137 | 109.1 Ų | 109.1 | 64% | 0.64 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.5 | -17.5 | -165.9 | -156.4 | 169.3 | 144.1 | 0 | 0 | 113.1 | S162 | S162-E164 PolarHBondContact O-N 3.4Å; S162-E164 PolarHBondContact OG-OE2 2.87Å |
| 165 | F | 55.6 | Low | 62.3 | Low | 187 Ų | 187 | 107.5 Ų | 107.5 | 82% | 0.82 | 65% | 0.653 | S | S | * | * | trans | -131.2 | 61.8 | -178.1 | -61.7 | -76.2 | 0 | 0 | 0 | 111.8 | Y167 | F165-Y167 PolarHBondContact O-N 2.91Š| ||
| 166 | A | 63.9 | Low | 63.5 | Low | 84 Ų | 84 | 105.3 Ų | 105.3 | 69% | 0.694 | 64% | 0.642 | S | S | * | * | trans | -70.2 | 118.4 | 166.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | V168 | A166-V168 PolarHBondContact O-N 2.89Š| ||
| 167 | Y | 69 | Low | 64.4 | Low | 196 Ų | 196 | 103 Ų | 103 | 77% | 0.769 | 63% | 0.631 | S | S | * | * | trans | -67.5 | 104 | 177.4 | -180 | -93.7 | 0 | 0 | 0 | 110.5 | F165 | F165-Y167 PolarHBondContact O-N 2.91Š| ||
| 168 | V | 76.3 | Confident | 65.7 | Low | 103 Ų | 103 | 101.8 Ų | 101.8 | 62% | 0.624 | 62% | 0.617 | S | S | * | * | trans | -78 | 123.9 | 171.1 | -177.2 | 0 | 0 | 0 | 0 | 108.2 | A166 A170 L175 | A166-V168 PolarHBondContact O-N 2.89Å; V168-A170 PolarHBondContact O-N 2.8Å; V168-L175 HydrophobicContact CG1-CD1 4.49Å | ||
| 169 | P | 77.3 | Confident | 66.6 | Low | 14 Ų | 14 | 102.3 Ų | 102.3 | 9% | 0.091 | 61% | 0.61 | C | S | . | * | trans | -60.7 | 129.2 | 171.9 | -20.5 | 32.8 | 0 | 0 | 0 | 110.2 | D171 Q174 | P169-D171 PolarHBondContact O-N 3.04Å; P169-D171 VanDerWaalsContact O-N 3.1Å; P169-Q174 HydrophobicContact CB-CB 3.69Å; P169-Q174 HydrophobicContact CG-CB 4.29Å | ||
| 170 | A | 75.9 | Confident | 67.8 | Low | 106 Ų | 106 | 103.7 Ų | 103.7 | 88% | 0.876 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -70.4 | -0.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | V168 | V168-A170 PolarHBondContact O-N 2.8Š|
| 171 | D | 86.1 | Confident | 68.7 | Low | 61 Ų | 61 | 102 Ų | 102 | 33% | 0.326 | 61% | 0.605 | S | S | . | * | S | Bend | trans | -111.2 | 116 | 178.3 | 170.6 | 4.6 | 0 | 0 | 0 | 109 | P169 A173 Q174 L175 | P169-D171 PolarHBondContact O-N 3.04Å; P169-D171 VanDerWaalsContact O-N 3.1Å; D171-A173 PolarHBondContact O-N 2.88Å; D171-A173 VanDerWaalsContact OD1-CB 3.3Å; D171-A173 WeakPolarHBondContact OD1-CB 3.32Å; D171-A173 PolarHBondContact OD1-N 2.98Å; D171-Q174 HydrophobicContact CB-CB 4.1Å; D171-Q174 HydrophobicContact CB-CG 4.17Å; D171-Q174 WeakPolarHBondContact O-CB 3.44Å; D171-Q174 PolarHBondContact O-N 3.46Å; D171-Q174 WeakPolarHBondContact OD2-CG 3.42Å; D171-Q174 PolarHBondContact OD2-NE2 2.99Å; D171-L175 PolarHBondContact O-N 2.99Å |
| 172 | P | 77.6 | Confident | 69.3 | Low | 105 Ų | 105 | 102.6 Ų | 102.6 | 68% | 0.682 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -56.3 | -30.8 | 177.3 | -26.9 | 35.7 | 0 | 0 | 0 | 114.2 | L175 A176 | P172-L175 WeakPolarHBondContact O-CB 3.43Å; P172-L175 PolarHBondContact O-N 3.2Å; P172-A176 PolarHBondContact O-N 2.68Å |
| 173 | A | 79.4 | Confident | 69.5 | Low | 65 Ų | 65 | 105.1 Ų | 105.1 | 54% | 0.537 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -69.6 | -35 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | D171 A176 A177 | D171-A173 PolarHBondContact O-N 2.88Å; D171-A173 VanDerWaalsContact OD1-CB 3.3Å; D171-A173 WeakPolarHBondContact OD1-CB 3.32Å; D171-A173 PolarHBondContact OD1-N 2.98Å; A173-A176 PolarHBondContact O-N 2.87Å; A173-A177 VanDerWaalsContact O-CB 3.28Å; A173-A177 WeakPolarHBondContact O-CB 3.25Å; A173-A177 PolarHBondContact O-N 3.35Å |
| 174 | Q | 79.2 | Confident | 68.9 | Low | 111 Ų | 111 | 103.8 Ų | 103.8 | 52% | 0.519 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -72.4 | -32 | 172.6 | -75.3 | 172.3 | 63.6 | 0 | 0 | 112.5 | P169 D171 Q178 | P169-Q174 HydrophobicContact CB-CB 3.69Å; P169-Q174 HydrophobicContact CG-CB 4.29Å; D171-Q174 HydrophobicContact CB-CB 4.1Å; D171-Q174 HydrophobicContact CB-CG 4.17Å; D171-Q174 WeakPolarHBondContact O-CB 3.44Å; D171-Q174 PolarHBondContact O-N 3.46Å; D171-Q174 WeakPolarHBondContact OD2-CG 3.42Å; D171-Q174 PolarHBondContact OD2-NE2 2.99Å; Q174-Q178 VanDerWaalsContact O-CB 3.28Å; Q174-Q178 WeakPolarHBondContact O-CB 3.33Å; Q174-Q178 PolarHBondContact O-N 3.14Å |
| 175 | L | 78.8 | Confident | 68.1 | Low | 81 Ų | 81 | 103.2 Ų | 103.2 | 42% | 0.424 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -62.6 | -49.4 | 170.1 | -174.5 | 71.2 | 0 | 0 | 0 | 110.6 | V168 D171 P172 Q178 M179 | V168-L175 HydrophobicContact CG1-CD1 4.49Å; D171-L175 PolarHBondContact O-N 2.99Å; P172-L175 WeakPolarHBondContact O-CB 3.43Å; P172-L175 PolarHBondContact O-N 3.2Å; L175-Q178 PolarHBondContact O-N 3.18Å; L175-M179 VanDerWaalsContact O-CG 3.25Å; L175-M179 WeakPolarHBondContact O-CG 3.44Å; L175-M179 PolarHBondContact O-N 3.07Å |
| 176 | A | 75.4 | Confident | 67.4 | Low | 58 Ų | 58 | 101.7 Ų | 101.7 | 48% | 0.479 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -60.7 | -45.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | P172 A173 Q178 M179 L180 | P172-A176 PolarHBondContact O-N 2.68Å; A173-A176 PolarHBondContact O-N 2.87Å; A176-Q178 VanDerWaalsContact C-N 3.32Å; A176-Q178 PolarHBondContact O-N 3.21Å; A176-M179 PolarHBondContact O-N 3.1Å; A176-L180 WeakPolarHBondContact O-CB 3.44Å; A176-L180 PolarHBondContact O-N 3.07Å |
| 177 | A | 75.2 | Confident | 66.6 | Low | 63 Ų | 63 | 105.2 Ų | 105.2 | 52% | 0.521 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -62.8 | -35.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | A173 G181 | A173-A177 VanDerWaalsContact O-CB 3.28Å; A173-A177 WeakPolarHBondContact O-CB 3.25Å; A173-A177 PolarHBondContact O-N 3.35Å; A177-G181 WeakPolarHBondContact O-CA 3.49Å; A177-G181 PolarHBondContact O-N 3.23Å |
| 178 | Q | 73 | Confident | 65.4 | Low | 81 Ų | 81 | 102 Ų | 102 | 38% | 0.379 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -73.2 | -33.7 | 176.2 | -159.5 | -164.2 | 123.9 | 0 | 0 | 112.5 | Q174 L175 A176 K182 | Q174-Q178 VanDerWaalsContact O-CB 3.28Å; Q174-Q178 WeakPolarHBondContact O-CB 3.33Å; Q174-Q178 PolarHBondContact O-N 3.14Å; L175-Q178 PolarHBondContact O-N 3.18Å; A176-Q178 VanDerWaalsContact C-N 3.32Å; A176-Q178 PolarHBondContact O-N 3.21Å; Q178-K182 HydrophobicContact CG-CD 4.41Å; Q178-K182 WeakPolarHBondContact O-CG 3.28Å |
| 179 | M | 72.9 | Confident | 64.1 | Low | 144 Ų | 144 | 102.8 Ų | 102.8 | 71% | 0.709 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -66 | -46.2 | 173.5 | -69.4 | -101.9 | 56.1 | 0 | 0 | 110.9 | L175 A176 | L175-M179 VanDerWaalsContact O-CG 3.25Å; L175-M179 WeakPolarHBondContact O-CG 3.44Å; L175-M179 PolarHBondContact O-N 3.07Å; A176-M179 PolarHBondContact O-N 3.1Å |
| 180 | L | 67.5 | Low | 62.3 | Low | 145 Ų | 145 | 110 Ų | 110 | 76% | 0.759 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -74.4 | -32.4 | -179.7 | -150.2 | 72.3 | 0 | 0 | 0 | 112.8 | A176 K182 V183 | A176-L180 WeakPolarHBondContact O-CB 3.44Å; A176-L180 PolarHBondContact O-N 3.07Å; L180-K182 VanDerWaalsContact C-N 3.3Å; L180-K182 PolarHBondContact O-N 3.32Å; L180-V183 VanDerWaalsContact O-CG2 3.29Å; L180-V183 WeakPolarHBondContact O-CG2 3.49Å |
| 181 | G | 59.7 | Low | 60.9 | Low | 67 Ų | 67 | 109.7 Ų | 109.7 | 69% | 0.691 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.5 | 3 | -177 | 0 | 0 | 0 | 0 | 0 | 116.2 | A177 | A177-G181 WeakPolarHBondContact O-CA 3.49Å; A177-G181 PolarHBondContact O-N 3.23Å |
| 182 | K | 53.6 | Low | 59 | Low | 140 Ų | 140 | 113.6 Ų | 113.6 | 61% | 0.609 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.9 | 2.7 | -176.9 | -81.5 | 179.7 | 173.6 | 174.5 | 0 | 115.5 | Q178 L180 S184 | Q178-K182 HydrophobicContact CG-CD 4.41Å; Q178-K182 WeakPolarHBondContact O-CG 3.28Å; L180-K182 VanDerWaalsContact C-N 3.3Å; L180-K182 PolarHBondContact O-N 3.32Å; K182-S184 VanDerWaalsContact C-N 3.28Å; K182-S184 PolarHBondContact O-N 2.9Å |
| 183 | V | 47.9 | Very low | 57.7 | Low | 128 Ų | 128 | 114.5 Ų | 114.5 | 78% | 0.776 | 67% | 0.669 | S | S | * | * | trans | -74.7 | 81.5 | 165.3 | -87.4 | 0 | 0 | 0 | 0 | 110.5 | L180 S185 | L180-V183 VanDerWaalsContact O-CG2 3.29Å; L180-V183 WeakPolarHBondContact O-CG2 3.49Å; V183-S185 PolarHBondContact O-N 2.92Å | ||
| 184 | S | 44.4 | Very low | 56.7 | Low | 104 Ų | 104 | 118.5 Ų | 118.5 | 73% | 0.727 | 68% | 0.68 | S | S | * | * | trans | -56.4 | 129.1 | 170.1 | -69.5 | 0 | 0 | 0 | 0 | 110.6 | K182 I186 | K182-S184 VanDerWaalsContact C-N 3.28Å; K182-S184 PolarHBondContact O-N 2.9Å; S184-I186 PolarHBondContact O-N 3.45Å | ||
| 185 | S | 40.6 | Very low | 55.3 | Low | 124 Ų | 124 | 121.8 Ų | 121.8 | 87% | 0.867 | 70% | 0.698 | S | S | * | * | trans | -65.2 | 115.4 | -178.3 | 47 | 0 | 0 | 0 | 0 | 112.2 | V183 | V183-S185 PolarHBondContact O-N 2.92Š| ||
| 186 | I | 42.3 | Very low | 54.3 | Low | 156 Ų | 156 | 123.6 Ų | 123.6 | 80% | 0.8 | 71% | 0.712 | S | S | * | * | trans | -136.3 | 119.7 | 167.3 | -26 | 179.6 | 0 | 0 | 0 | 108.9 | S184 | S184-I186 PolarHBondContact O-N 3.45Š| ||
| 187 | H | 47.5 | Very low | 53.2 | Low | 158 Ų | 158 | 127.5 Ų | 127.5 | 73% | 0.731 | 73% | 0.725 | S | S | * | * | trans | 59 | 78.4 | 175.2 | -136.7 | -63.9 | 0 | 0 | 0 | 116.9 | D189 | H187-D189 IonicContact CE1-OD2 3.2Å; H187-D189 PolarHBondContact O-N 3.36Å | ||
| 188 | S | 42.8 | Very low | 52.4 | Low | 128 Ų | 128 | 131.1 Ų | 131.1 | 90% | 0.895 | 74% | 0.74 | S | S | * | * | trans | -72 | 116.8 | 152.8 | -178.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 189 | D | 49 | Very low | 51.1 | Low | 120 Ų | 120 | 130.8 Ų | 130.8 | 64% | 0.642 | 75% | 0.751 | S | S | * | * | trans | -147.4 | 146.3 | 160.7 | -147.6 | -9.7 | 0 | 0 | 0 | 112.3 | H187 S191 | H187-D189 IonicContact CE1-OD2 3.2Å; H187-D189 PolarHBondContact O-N 3.36Å; D189-S191 PolarHBondContact O-N 3.39Å | ||
| 190 | Q | 39.9 | Very low | 49.8 | Very low | 166 Ų | 166 | 130.7 Ų | 130.7 | 78% | 0.776 | 76% | 0.759 | S | S | * | * | trans | -43.3 | 115.5 | -167.5 | -175.1 | 168.1 | 34.6 | 0 | 0 | 117 | ||||
| 191 | S | 45.5 | Very low | 48.8 | Very low | 99 Ų | 99 | 129.1 Ų | 129.1 | 69% | 0.692 | 76% | 0.76 | S | S | * | * | trans | -149.7 | 120.9 | 152.5 | 50.4 | 0 | 0 | 0 | 0 | 111.9 | D189 V193 | D189-S191 PolarHBondContact O-N 3.39Å; S191-V193 PolarHBondContact O-N 2.6Å; S191-V193 VanDerWaalsContact O-N 3.16Å | ||
| 192 | D | 47.2 | Very low | 48.3 | Very low | 142 Ų | 142 | 133.8 Ų | 133.8 | 76% | 0.759 | 77% | 0.766 | S | S | * | * | trans | -80.4 | 92.6 | -178.3 | -61.5 | -69.8 | 0 | 0 | 0 | 110.8 | L194 | D192-L194 PolarHBondContact O-N 2.84Š| ||
| 193 | V | 50.5 | Low | 48 | Very low | 124 Ų | 124 | 132.3 Ų | 132.3 | 75% | 0.752 | 77% | 0.771 | S | S | * | * | trans | -74 | 97.5 | 174.8 | -178 | 0 | 0 | 0 | 0 | 109.6 | S191 M195 | S191-V193 PolarHBondContact O-N 2.6Å; S191-V193 VanDerWaalsContact O-N 3.16Å; V193-M195 PolarHBondContact O-N 2.73Å | ||
| 194 | L | 56.9 | Low | 47.9 | Very low | 149 Ų | 149 | 132 Ų | 132 | 78% | 0.78 | 77% | 0.769 | S | S | * | * | trans | -65.1 | 118.1 | 171.2 | -63.4 | 175.9 | 0 | 0 | 0 | 109.8 | D192 V196 | D192-L194 PolarHBondContact O-N 2.84Å; L194-V196 PolarHBondContact O-N 2.94Å; L194-V196 VanDerWaalsContact O-N 3.07Å | ||
| 195 | M | 51.1 | Low | 47.6 | Very low | 180 Ų | 180 | 133.7 Ų | 133.7 | 89% | 0.887 | 78% | 0.775 | S | S | * | * | trans | -65.7 | 104.9 | 170.6 | -68.8 | -68.4 | -70.7 | 0 | 0 | 109.3 | V193 | V193-M195 PolarHBondContact O-N 2.73Š| ||
| 196 | V | 57.8 | Low | 48 | Very low | 119 Ų | 119 | 134.3 Ų | 134.3 | 72% | 0.721 | 77% | 0.767 | S | S | * | * | trans | -88.4 | 111.7 | 172.1 | 179.3 | 0 | 0 | 0 | 0 | 108.3 | L194 V198 | L194-V196 PolarHBondContact O-N 2.94Å; L194-V196 VanDerWaalsContact O-N 3.07Å; V196-V198 HydrophobicContact CG1-CG2 4.39Å | ||
| 197 | D | 51.8 | Low | 47.9 | Very low | 140 Ų | 140 | 136.7 Ų | 136.7 | 75% | 0.749 | 77% | 0.771 | S | S | * | * | trans | -74.7 | 127.2 | 175 | -169.6 | 1.5 | 0 | 0 | 0 | 110.4 | A199 | D197-A199 VanDerWaalsContact OD1-CB 3.27Å; D197-A199 WeakPolarHBondContact OD1-CB 3.12Å | ||
| 198 | V | 59.5 | Low | 47.7 | Very low | 140 Ų | 140 | 137.2 Ų | 137.2 | 85% | 0.848 | 77% | 0.774 | S | S | * | * | trans | -115.1 | 55.1 | -173.8 | -169.1 | 0 | 0 | 0 | 0 | 109.6 | V196 | V196-V198 HydrophobicContact CG1-CG2 4.39Š| ||
| 199 | A | 45.1 | Very low | 47.9 | Very low | 73 Ų | 73 | 137 Ų | 137 | 60% | 0.603 | 77% | 0.767 | S | S | * | * | trans | -122.4 | 13.8 | -169.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | D197 | D197-A199 VanDerWaalsContact OD1-CB 3.27Å; D197-A199 WeakPolarHBondContact OD1-CB 3.12Å | ||
| 200 | T | 45.1 | Very low | 47.5 | Very low | 142 Ų | 142 | 137.1 Ų | 137.1 | 87% | 0.871 | 77% | 0.774 | S | S | * | * | trans | -138 | 93.4 | 179.7 | -40.7 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 201 | S | 45.6 | Very low | 47.5 | Very low | 113 Ų | 113 | 135 Ų | 135 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | trans | -155.1 | 78.4 | 165.3 | -167.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 202 | M | 49.1 | Very low | 47.4 | Very low | 164 Ų | 164 | 135.9 Ų | 135.9 | 81% | 0.808 | 78% | 0.784 | S | S | * | * | trans | -95.1 | 124.7 | 163 | -81.9 | -74.1 | 105.4 | 0 | 0 | 109 | V204 | M202-V204 PolarHBondContact O-N 2.95Š| ||
| 203 | P | 47.5 | Very low | 47.2 | Very low | 109 Ų | 109 | 138.3 Ų | 138.3 | 71% | 0.708 | 79% | 0.791 | S | S | * | * | trans | -73.8 | 99.5 | 178.7 | 29.2 | -33.2 | 0 | 0 | 0 | 110.5 | V205 | P203-V205 PolarHBondContact O-N 3.11Š| ||
| 204 | V | 45.9 | Very low | 46.9 | Very low | 121 Ų | 121 | 136.8 Ų | 136.8 | 73% | 0.733 | 79% | 0.791 | S | S | * | * | trans | -63.3 | 121.3 | 172.8 | 178.8 | 0 | 0 | 0 | 0 | 109.3 | M202 I206 | M202-V204 PolarHBondContact O-N 2.95Å; V204-I206 VanDerWaalsContact C-N 3.35Å; V204-I206 HydrophobicContact CB-CG1 4.49Å; V204-I206 HydrophobicContact CG1-CG1 3.92Å; V204-I206 PolarHBondContact O-N 3.24Å | ||
| 205 | V | 39 | Very low | 46.4 | Very low | 141 Ų | 141 | 133.8 Ų | 133.8 | 86% | 0.855 | 79% | 0.788 | S | S | * | * | trans | -76.5 | 84.5 | 179 | -176.1 | 0 | 0 | 0 | 0 | 109.9 | P203 K207 | P203-V205 PolarHBondContact O-N 3.11Å; V205-K207 PolarHBondContact O-N 3.28Å | ||
| 206 | I | 47.8 | Very low | 46.1 | Very low | 136 Ų | 136 | 134.3 Ų | 134.3 | 70% | 0.697 | 79% | 0.788 | S | S | * | * | trans | -82 | 112.3 | 173.8 | -52.6 | -179.8 | 0 | 0 | 0 | 109 | V204 E208 | V204-I206 VanDerWaalsContact C-N 3.35Å; V204-I206 HydrophobicContact CB-CG1 4.49Å; V204-I206 HydrophobicContact CG1-CG1 3.92Å; V204-I206 PolarHBondContact O-N 3.24Å; I206-E208 PolarHBondContact O-N 3.29Å | ||
| 207 | K | 40.5 | Very low | 45.4 | Very low | 206 Ų | 206 | 136 Ų | 136 | 90% | 0.896 | 79% | 0.794 | S | S | * | * | trans | -88.7 | 91.3 | 179.2 | 177.9 | -170.3 | 173.3 | -177.9 | 0 | 109.9 | V205 | V205-K207 PolarHBondContact O-N 3.28Š| ||
| 208 | E | 44.2 | Very low | 44.9 | Very low | 170 Ų | 170 | 134.7 Ų | 134.7 | 79% | 0.794 | 79% | 0.79 | S | S | * | * | trans | -137 | 158.6 | 173.8 | -148.4 | 160.7 | -153.2 | 0 | 0 | 113.9 | I206 | I206-E208 PolarHBondContact O-N 3.29Š| ||
| 209 | V | 47.7 | Very low | 44 | Very low | 124 Ų | 124 | 136.7 Ų | 136.7 | 75% | 0.752 | 79% | 0.792 | S | S | * | * | trans | -88.3 | 132.4 | -157.6 | 176.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 210 | P | 39.5 | Very low | 43.5 | Very low | 121 Ų | 121 | 139.3 Ų | 139.3 | 79% | 0.786 | 80% | 0.8 | S | S | * | * | trans | -81.1 | 133.7 | 172.2 | 32.5 | -32.9 | 0 | 0 | 0 | 111.9 | ||||
| 211 | S | 40.6 | Very low | 43.1 | Very low | 121 Ų | 121 | 137.4 Ų | 137.4 | 85% | 0.846 | 80% | 0.799 | S | S | * | * | trans | -121.7 | 139.8 | 163 | -70.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 212 | S | 42.1 | Very low | 42.8 | Very low | 118 Ų | 118 | 136.5 Ų | 136.5 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | trans | -96.4 | 149.3 | -172.3 | -171.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 213 | E | 44.6 | Very low | 42.1 | Very low | 193 Ų | 193 | 134.9 Ų | 134.9 | 90% | 0.902 | 80% | 0.801 | S | S | * | * | -161.9 | 175.9 | 128.1 | -157.1 | 138.6 | 106.3 | 0 | 0 | 111.1 | |||||
| 214 | A | 42.6 | Very low | 41.6 | Very low | 93 Ų | 93 | 138.2 Ų | 138.2 | 77% | 0.769 | 81% | 0.811 | S | S | * | * | trans | -93.3 | -173.2 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 215 | A | 46.3 | Very low | 41.2 | Very low | 86 Ų | 86 | 138.7 Ų | 138.7 | 71% | 0.711 | 81% | 0.814 | S | S | * | * | cis | -156.6 | 166.1 | 12.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 216 | E | 46.4 | Very low | 40.7 | Very low | 191 Ų | 191 | 137.9 Ų | 137.9 | 89% | 0.893 | 81% | 0.813 | S | S | * | * | trans | 9.3 | 132.1 | 147.6 | -57.3 | 174.6 | 178 | 0 | 0 | 121.3 | ||||
| 217 | D | 43.3 | Very low | 40.1 | Very low | 155 Ų | 155 | 137.7 Ų | 137.7 | 83% | 0.829 | 82% | 0.824 | S | S | * | * | -159 | 168.5 | 111.6 | -157.1 | 2.1 | 0 | 0 | 0 | 111.3 | |||||
| 218 | V | 40.4 | Very low | 39.8 | Very low | 111 Ų | 111 | 131.5 Ų | 131.5 | 67% | 0.673 | 82% | 0.819 | S | S | * | * | trans | -132.2 | 136.6 | -169.1 | 171.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 219 | M | 41.1 | Very low | 39 | Very low | 182 Ų | 182 | 133.3 Ų | 133.3 | 90% | 0.897 | 82% | 0.824 | S | S | * | * | trans | -152.6 | 157.3 | 149.6 | -135.3 | 164.6 | -76.9 | 0 | 0 | 114.7 | ||||
| 220 | V | 34.1 | Very low | 38.2 | Very low | 128 Ų | 128 | 133.9 Ų | 133.9 | 78% | 0.776 | 83% | 0.828 | S | S | * | * | trans | -123.3 | 142.5 | -165.5 | 174.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 221 | A | 37.7 | Very low | 37.7 | Very low | 102 Ų | 102 | 135.6 Ų | 135.6 | 84% | 0.843 | 83% | 0.829 | S | S | * | * | trans | -139.7 | 149.2 | 163.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 222 | A | 38.7 | Very low | 37.1 | Very low | 95 Ų | 95 | 137.7 Ų | 137.7 | 79% | 0.785 | 83% | 0.826 | S | S | * | * | trans | -108.8 | 163.7 | -167.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 223 | P | 34.7 | Very low | 36.3 | Very low | 130 Ų | 130 | 138.8 Ų | 138.8 | 84% | 0.844 | 83% | 0.827 | S | S | * | * | trans | -87.1 | 164.2 | -163.5 | 34.8 | -36.9 | 0 | 0 | 0 | 115.3 | ||||
| 224 | L | 37.2 | Very low | 35.5 | Very low | 178 Ų | 178 | 137 Ų | 137 | 93% | 0.932 | 82% | 0.819 | S | S | * | * | trans | -118.1 | 158.1 | 173.7 | -164.4 | 64.4 | 0 | 0 | 0 | 111.6 | ||||
| 225 | V | 36.6 | Very low | 34.9 | Very low | 132 Ų | 132 | 139.2 Ų | 139.2 | 80% | 0.8 | 82% | 0.822 | S | S | * | * | trans | -98.7 | 155.4 | -161.1 | 173.3 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 226 | C | 28.2 | Very low | 34.1 | Very low | 123 Ų | 123 | 139.3 Ų | 139.3 | 83% | 0.831 | 81% | 0.814 | S | S | * | * | trans | -59.7 | 156 | -175.8 | -36.4 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 227 | S | 36.2 | Very low | 33.2 | Very low | 133 Ų | 133 | 136.7 Ų | 136.7 | 93% | 0.93 | 81% | 0.806 | S | S | * | * | -169.4 | 135.1 | 123.9 | -168.3 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 228 | G | 33.7 | Very low | 32.6 | Very low | 76 Ų | 76 | 138.4 Ų | 138.4 | 78% | 0.784 | 81% | 0.809 | S | S | * | * | trans | 153.3 | 134 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 229 | K | 28.1 | Very low | 32.1 | Very low | 207 Ų | 207 | 139.1 Ų | 139.1 | 90% | 0.9 | 81% | 0.814 | S | S | * | * | trans | -106.4 | 137.7 | 175.7 | -65.2 | 179.7 | 179.3 | 180 | 0 | 110.3 | ||||
| 230 | V | 30.6 | Very low | 31.4 | Very low | 137 Ų | 137 | 136.4 Ų | 136.4 | 83% | 0.83 | 81% | 0.813 | S | S | * | * | trans | 168 | 165.5 | 137.1 | 151.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 231 | L | 27.8 | Very low | 31.2 | Very low | 156 Ų | 156 | 135.8 Ų | 135.8 | 82% | 0.817 | 81% | 0.809 | S | S | * | * | trans | -38.1 | 128 | -175.8 | -75.9 | 64.5 | 0 | 0 | 0 | 115.3 | ||||
| 232 | E | 28.2 | Very low | 30.8 | Very low | 165 Ų | 165 | 139.2 Ų | 139.2 | 77% | 0.771 | 81% | 0.808 | S | S | * | * | -177.3 | 146.4 | 111.8 | -99.4 | -173.9 | 168.2 | 0 | 0 | 110.2 | |||||
| 233 | V | 26.7 | Very low | 30.6 | Very low | 142 Ų | 142 | 140.5 Ų | 140.5 | 86% | 0.861 | 81% | 0.805 | S | S | * | * | trans | -104.1 | 74 | 169.4 | -176.5 | 0 | 0 | 0 | 0 | 108.2 | V235 | V233-V235 PolarHBondContact O-N 3.03Š| ||
| 234 | Q | 27.2 | Very low | 30.4 | Very low | 155 Ų | 155 | 140.2 Ų | 140.2 | 72% | 0.724 | 80% | 0.797 | S | S | * | * | trans | -75.2 | 117.4 | 175.2 | -162 | -176.2 | 46.9 | 0 | 0 | 109.3 | V236 | Q234-V236 HydrophobicContact CB-CG2 4.47Å; Q234-V236 HydrophobicContact CG-CG2 3.81Å; Q234-V236 PolarHBondContact O-N 3.38Å | ||
| 235 | V | 29.1 | Very low | 30.5 | Very low | 139 Ų | 139 | 139.6 Ų | 139.6 | 84% | 0.842 | 79% | 0.793 | S | S | * | * | trans | -83.9 | 109.5 | 177.6 | 178.5 | 0 | 0 | 0 | 0 | 109.3 | V233 | V233-V235 PolarHBondContact O-N 3.03Š| ||
| 236 | V | 29.2 | Very low | 30.3 | Very low | 88 Ų | 88 | 135.6 Ų | 135.6 | 53% | 0.533 | 78% | 0.779 | S | S | . | * | trans | -135.6 | 155.8 | 179.1 | -167.8 | 0 | 0 | 0 | 0 | 109.4 | Q234 | Q234-V236 HydrophobicContact CB-CG2 4.47Å; Q234-V236 HydrophobicContact CG-CG2 3.81Å; Q234-V236 PolarHBondContact O-N 3.38Å | ||
| 237 | N | 29.3 | Very low | 30.7 | Very low | 136 Ų | 136 | 135.4 Ų | 135.4 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | trans | 77.8 | 101.9 | -175.7 | -42.9 | -55.8 | 0 | 0 | 0 | 111.9 | ||||
| 238 | Q | 28.7 | Very low | 31 | Very low | 191 Ų | 191 | 137.7 Ų | 137.7 | 89% | 0.893 | 78% | 0.775 | S | S | * | * | 47.3 | 100.6 | 64.8 | -61.5 | -159.9 | 50.5 | 0 | 0 | 113.2 | |||||
| 239 | T | 30 | Very low | 31.6 | Very low | 127 Ų | 127 | 139.7 Ų | 139.7 | 78% | 0.779 | 77% | 0.774 | S | S | * | * | trans | -146.9 | 113.5 | 149.9 | -43.8 | 0 | 0 | 0 | 0 | 108.1 | V241 | T239-V241 HydrophobicContact CG2-CG2 3.95Š| ||
| 240 | S | 26.6 | Very low | 32.1 | Very low | 124 Ų | 124 | 139.6 Ų | 139.6 | 87% | 0.867 | 77% | 0.774 | S | S | * | * | trans | -88.4 | 131.8 | 165.4 | 45.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 241 | V | 31.6 | Very low | 32.8 | Very low | 115 Ų | 115 | 141.3 Ų | 141.3 | 70% | 0.697 | 77% | 0.773 | S | S | * | * | trans | -133.6 | 115.9 | 170.7 | -178.1 | 0 | 0 | 0 | 0 | 108.5 | T239 V243 | T239-V241 HydrophobicContact CG2-CG2 3.95Å; V241-V243 HydrophobicContact CG1-CG2 4.49Å | ||
| 242 | H | 27.7 | Very low | 33.5 | Very low | 175 Ų | 175 | 140.1 Ų | 140.1 | 81% | 0.81 | 77% | 0.767 | S | S | * | * | trans | -74 | 128.9 | 171.6 | -177.2 | -82.4 | 0 | 0 | 0 | 109.2 | ||||
| 243 | V | 35.2 | Very low | 34.4 | Very low | 122 Ų | 122 | 141.4 Ų | 141.4 | 74% | 0.739 | 77% | 0.773 | S | S | * | * | trans | -115 | 118.2 | 173.7 | 180 | 0 | 0 | 0 | 0 | 108.8 | V241 | V241-V243 HydrophobicContact CG1-CG2 4.49Š| ||
| 244 | D | 30.6 | Very low | 35.1 | Very low | 124 Ų | 124 | 139.1 Ų | 139.1 | 66% | 0.663 | 77% | 0.769 | S | S | * | * | trans | -75.5 | 154.3 | -177.9 | 178.3 | 35.2 | 0 | 0 | 0 | 112.4 | G246 | D244-G246 PolarHBondContact OD1-N 3.38Š| ||
| 245 | L | 39.2 | Very low | 35.8 | Very low | 164 Ų | 164 | 140 Ų | 140 | 86% | 0.859 | 77% | 0.774 | S | S | * | * | trans | -128.8 | 56.9 | 175.1 | -74.4 | -179.2 | 0 | 0 | 0 | 111.8 | ||||
| 246 | G | 32.6 | Very low | 36.1 | Very low | 49 Ų | 49 | 139.1 Ų | 139.1 | 51% | 0.505 | 77% | 0.77 | S | S | . | * | trans | -62.3 | 154.1 | 148.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | D244 | D244-G246 PolarHBondContact OD1-N 3.38Š| ||
| 247 | S | 37.2 | Very low | 36.7 | Very low | 119 Ų | 119 | 140.1 Ų | 140.1 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | cis | -156.2 | 146.4 | 1.8 | -64.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 248 | Q | 41.9 | Very low | 37.1 | Very low | 181 Ų | 181 | 139.7 Ų | 139.7 | 85% | 0.846 | 78% | 0.784 | S | S | * | * | trans | -108.3 | 135.4 | 162.4 | -86.7 | -73.6 | 2.4 | 0 | 0 | 109.7 | ||||
| 249 | P | 45.7 | Very low | 37.3 | Very low | 118 Ų | 118 | 135 Ų | 135 | 77% | 0.766 | 78% | 0.777 | S | S | * | * | trans | -71.4 | 147.7 | 179.4 | -16.3 | 31.3 | 0 | 0 | 0 | 112.9 | ||||
| 250 | K | 38.6 | Very low | 37.6 | Very low | 204 Ų | 204 | 134.7 Ų | 134.7 | 89% | 0.887 | 78% | 0.781 | S | S | * | * | trans | -90.7 | 127.9 | 170.2 | -75.2 | -176.9 | 175.2 | -178 | 0 | 111.5 | ||||
| 251 | E | 44.9 | Very low | 38.2 | Very low | 174 Ų | 174 | 133.9 Ų | 133.9 | 81% | 0.813 | 78% | 0.775 | S | S | * | * | trans | -152.2 | 140.2 | 147.7 | -75.2 | -159.6 | -173.5 | 0 | 0 | 106.7 | ||||
| 252 | N | 44.3 | Very low | 38.8 | Very low | 131 Ų | 131 | 135.3 Ų | 135.3 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | cis | -152.4 | -177.8 | -10.1 | -96.7 | -33.8 | 0 | 0 | 0 | 109.7 | ||||
| 253 | E | 45.3 | Very low | 39.3 | Very low | 192 Ų | 192 | 132 Ų | 132 | 90% | 0.897 | 78% | 0.778 | S | S | * | * | trans | -59.7 | 162.6 | 175.6 | -44.4 | 174.2 | 105.5 | 0 | 0 | 112.6 | ||||
| 254 | A | 42.8 | Very low | 39.4 | Very low | 94 Ų | 94 | 133.8 Ų | 133.8 | 78% | 0.777 | 78% | 0.782 | S | S | * | * | cis | -150.7 | -162.5 | 0.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 255 | E | 40.9 | Very low | 40 | Very low | 174 Ų | 174 | 136.6 Ų | 136.6 | 81% | 0.813 | 79% | 0.792 | S | S | * | * | cis | -156.5 | 147.2 | -0.9 | -175.6 | 177.1 | -116.1 | 0 | 0 | 108.1 | ||||
| 256 | P | 36.8 | Very low | 40 | Very low | 119 Ų | 119 | 136.2 Ų | 136.2 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | trans | -100.8 | 122.4 | -178.8 | 35.4 | -30.8 | 0 | 0 | 0 | 115.4 | ||||
| 257 | S | 40.4 | Very low | 40 | Very low | 109 Ų | 109 | 142.3 Ų | 142.3 | 76% | 0.762 | 81% | 0.805 | S | S | * | * | trans | -169.5 | 154.5 | 164.4 | -93.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 258 | T | 37.5 | Very low | 40.1 | Very low | 128 Ų | 128 | 145.1 Ų | 145.1 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | cis | -155.3 | 158.7 | -17.5 | -98.7 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 259 | A | 33.4 | Very low | 39.9 | Very low | 91 Ų | 91 | 144.5 Ų | 144.5 | 75% | 0.752 | 80% | 0.803 | S | S | * | * | trans | -45.5 | 152.1 | -169.8 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 260 | S | 37.3 | Very low | 40.4 | Very low | 122 Ų | 122 | 144 Ų | 144 | 85% | 0.853 | 80% | 0.799 | S | S | * | * | trans | -150 | 143.9 | 135.9 | -168.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 261 | S | 38.6 | Very low | 40.9 | Very low | 107 Ų | 107 | 139.4 Ų | 139.4 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | trans | -115.5 | 142.4 | -175 | -52.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 262 | V | 43.5 | Very low | 40.4 | Very low | 145 Ų | 145 | 135.8 Ų | 135.8 | 88% | 0.879 | 79% | 0.79 | S | S | * | * | trans | -134.5 | 126 | 161.8 | -176.7 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 263 | P | 38.9 | Very low | 40.2 | Very low | 105 Ų | 105 | 139.6 Ų | 139.6 | 68% | 0.682 | 80% | 0.796 | S | S | * | * | trans | -109.3 | 167.8 | -172.4 | 40.9 | -35.6 | 0 | 0 | 0 | 114.8 | ||||
| 264 | L | 36.5 | Very low | 39.8 | Very low | 159 Ų | 159 | 137.6 Ų | 137.6 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | trans | 75.7 | 146.6 | 155.1 | -73.9 | 160.7 | 0 | 0 | 0 | 120.1 | ||||
| 265 | Q | 43.2 | Very low | 39.4 | Very low | 184 Ų | 184 | 142.6 Ų | 142.6 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | trans | 71.2 | 89.1 | 164.7 | -40.9 | -155.6 | -97.3 | 0 | 0 | 118.3 | ||||
| 266 | D | 39.1 | Very low | 38.9 | Very low | 155 Ų | 155 | 138.4 Ų | 138.4 | 83% | 0.829 | 79% | 0.794 | S | S | * | * | -150.5 | 152.7 | 103.9 | -162.5 | 24.7 | 0 | 0 | 0 | 110.6 | |||||
| 267 | E | 33.7 | Very low | 38.8 | Very low | 177 Ų | 177 | 138.1 Ų | 138.1 | 83% | 0.827 | 79% | 0.792 | S | S | * | * | trans | -115.3 | 105.2 | -174.5 | -71.7 | -179 | 102.5 | 0 | 0 | 112 | ||||
| 268 | Q | 38.7 | Very low | 38.3 | Very low | 178 Ų | 178 | 142.2 Ų | 142.2 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | trans | -130.3 | 78.4 | 169.5 | -89.4 | -77 | -90.6 | 0 | 0 | 110.3 | ||||
| 269 | E | 37.8 | Very low | 38 | Very low | 169 Ų | 169 | 142 Ų | 142 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 128.1 | 163.1 | -172.3 | 177.2 | 150.2 | 0 | 0 | 109 | ||
| 270 | P | 56.4 | Low | 37.8 | Very low | 106 Ų | 106 | 143.3 Ų | 143.3 | 69% | 0.688 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -69 | 133.4 | 176.6 | 28.7 | -33.3 | 0 | 0 | 0 | 109.6 | A272 | P270-A272 PolarHBondContact O-N 2.93Š|
| 271 | P | 50.1 | Low | 37.5 | Very low | 109 Ų | 109 | 146 Ų | 146 | 71% | 0.708 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 122.7 | -173.2 | 26.1 | -34.3 | 0 | 0 | 0 | 111.3 | Y273 | P271-Y273 PolarHBondContact O-N 3.33Š|
| 272 | A | 33.7 | Very low | 37 | Very low | 97 Ų | 97 | 149.3 Ų | 149.3 | 80% | 0.802 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 128.9 | 164.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | P270 | P270-A272 PolarHBondContact O-N 2.93Š|
| 273 | Y | 40 | Very low | 36.3 | Very low | 212 Ų | 212 | 146.4 Ų | 146.4 | 83% | 0.831 | 80% | 0.795 | S | S | * | * | trans | -122.6 | 150.5 | 174.4 | -111.3 | -80.7 | 0 | 0 | 0 | 110.6 | P271 | P271-Y273 PolarHBondContact O-N 3.33Š| ||
| 274 | D | 37.6 | Very low | 36.1 | Very low | 150 Ų | 150 | 149.6 Ų | 149.6 | 80% | 0.802 | 81% | 0.806 | S | S | * | * | trans | -67.2 | 155.1 | -154 | -81 | -66.4 | 0 | 0 | 0 | 117.5 | A276 | D274-A276 PolarHBondContact O-N 3.1Š| ||
| 275 | Q | 33.3 | Very low | 36 | Very low | 199 Ų | 199 | 148.3 Ų | 148.3 | 93% | 0.93 | 80% | 0.799 | S | S | * | * | trans | -62.5 | 117.4 | 170.9 | -173.5 | 176.8 | 31.5 | 0 | 0 | 111 | ||||
| 276 | A | 31.7 | Very low | 35.8 | Very low | 85 Ų | 85 | 146.6 Ų | 146.6 | 70% | 0.702 | 79% | 0.791 | S | S | * | * | trans | -128.3 | 155.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | D274 | D274-A276 PolarHBondContact O-N 3.1Š| ||
| 277 | P | 33.1 | Very low | 35.8 | Very low | 113 Ų | 113 | 141.5 Ų | 141.5 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | trans | -70.6 | 153.1 | -150.1 | -23.5 | 35.2 | 0 | 0 | 0 | 116.6 | V279 | P277-V279 PolarHBondContact O-N 2.96Å; P277-V279 VanDerWaalsContact O-N 3.08Å | ||
| 278 | E | 30.6 | Very low | 36 | Very low | 196 Ų | 196 | 137.9 Ų | 137.9 | 92% | 0.916 | 75% | 0.749 | S | S | * | * | trans | -58.1 | 107.1 | 158.1 | -68.2 | 171.9 | 104.3 | 0 | 0 | 109.3 | ||||
| 279 | V | 31.2 | Very low | 36.1 | Very low | 124 Ų | 124 | 130 Ų | 130 | 75% | 0.752 | 71% | 0.714 | S | S | * | * | trans | -94 | 112.3 | 168.2 | 178.2 | 0 | 0 | 0 | 0 | 107.7 | P277 L281 | P277-V279 PolarHBondContact O-N 2.96Å; P277-V279 VanDerWaalsContact O-N 3.08Å; V279-L281 PolarHBondContact O-N 3.16Å | ||
| 280 | T | 29.1 | Very low | 36.2 | Very low | 118 Ų | 118 | 123.7 Ų | 123.7 | 72% | 0.724 | 69% | 0.687 | S | S | * | * | trans | -56.7 | 122.8 | 178 | -32.3 | 0 | 0 | 0 | 0 | 110.2 | Q282 | T280-Q282 VanDerWaalsContact C-N 3.28Å; T280-Q282 PolarHBondContact O-N 3.19Å | ||
| 281 | L | 30.6 | Very low | 35.7 | Very low | 179 Ų | 179 | 119.5 Ų | 119.5 | 94% | 0.937 | 66% | 0.659 | S | S | * | * | trans | -73.1 | 83.6 | 173.6 | -70.1 | 175 | 0 | 0 | 0 | 109.7 | V279 | V279-L281 PolarHBondContact O-N 3.16Š| ||
| 282 | Q | 28.2 | Very low | 35.5 | Very low | 175 Ų | 175 | 116.9 Ų | 116.9 | 82% | 0.818 | 64% | 0.638 | S | S | * | * | trans | -138.9 | 78.6 | 176 | -167.5 | 174.8 | 38.1 | 0 | 0 | 110.7 | T280 | T280-Q282 VanDerWaalsContact C-N 3.28Å; T280-Q282 PolarHBondContact O-N 3.19Å | ||
| 283 | A | 29.6 | Very low | 35.9 | Very low | 84 Ų | 84 | 115.5 Ų | 115.5 | 69% | 0.694 | 62% | 0.616 | S | S | * | * | trans | -154.1 | 98.4 | 166.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | I285 | A283-I285 PolarHBondContact O-N 2.77Š| ||
| 284 | D | 34.3 | Very low | 36 | Very low | 172 Ų | 172 | 107.1 Ų | 107.1 | 92% | 0.92 | 59% | 0.588 | S | S | * | * | trans | -65.4 | 119.9 | 166.7 | -72.9 | -56.9 | 0 | 0 | 0 | 108.4 | ||||
| 285 | I | 34.9 | Very low | 36.2 | Very low | 132 Ų | 132 | 101.5 Ų | 101.5 | 68% | 0.677 | 56% | 0.561 | S | S | * | * | trans | -96 | 94.7 | 174 | -56.9 | 179.6 | 0 | 0 | 0 | 106.7 | A283 V287 | A283-I285 PolarHBondContact O-N 2.77Å; I285-V287 HydrophobicContact CG2-CG2 3.99Å; I285-V287 PolarHBondContact O-N 3.47Å | ||
| 286 | E | 37.9 | Very low | 36.9 | Very low | 149 Ų | 149 | 94.3 Ų | 94.3 | 70% | 0.696 | 53% | 0.53 | S | S | * | . | trans | -68.3 | 93.8 | 176.6 | -171 | 179 | 176.6 | 0 | 0 | 110.2 | M288 | E286-M288 HydrophobicContact CG-CG 4.4Å; E286-M288 PolarHBondContact O-N 3.4Å | ||
| 287 | V | 40.4 | Very low | 37.5 | Very low | 48 Ų | 48 | 96.2 Ų | 96.2 | 29% | 0.291 | 52% | 0.521 | S | S | . | . | trans | -86.3 | 90.1 | 177.2 | -176.8 | 0 | 0 | 0 | 0 | 109.6 | I285 | I285-V287 HydrophobicContact CG2-CG2 3.99Å; I285-V287 PolarHBondContact O-N 3.47Å | ||
| 288 | M | 37.9 | Very low | 38.2 | Very low | 100 Ų | 100 | 95.2 Ų | 95.2 | 49% | 0.493 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 127.2 | 167.4 | -61.8 | -171.9 | 80.1 | 0 | 0 | 110.2 | E286 Y308 | E286-M288 HydrophobicContact CG-CG 4.4Å; E286-M288 PolarHBondContact O-N 3.4Å; M288-Y308 HydrophobicContact CE-CD1 4.05Å |
| 289 | S | 40.4 | Very low | 39.5 | Very low | 13 Ų | 13 | 93.4 Ų | 93.4 | 9% | 0.091 | 51% | 0.506 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 138.4 | 167.7 | -65 | 0 | 0 | 0 | 0 | 110.3 | I309 | S289-I309 PolarHBondContact N-O 3.49Å; S289-I309 PolarHBondContact O-N 3Å |
| 290 | T | 40.2 | Very low | 40 | Very low | 37 Ų | 37 | 91.8 Ų | 91.8 | 23% | 0.227 | 50% | 0.496 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 123.6 | -177.1 | -55.5 | 0 | 0 | 0 | 0 | 109.2 | V306 T424 | T290-V306 HydrophobicContact CG2-CG1 3.69Å; T290-T424 PolarHBondContact N-O 3.41Å; T290-T424 PolarHBondContact O-N 3.3Å; T290-T424 PolarHBondContact O-OG1 3.26Å |
| 291 | V | 44.6 | Very low | 41 | Very low | 17 Ų | 17 | 91.2 Ų | 91.2 | 10% | 0.103 | 49% | 0.494 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 128 | 174.2 | -179 | 0 | 0 | 0 | 0 | 109.4 | I293 V307 I309 V421 I423 | V291-I293 HydrophobicContact CG1-CG1 4Å; V291-V307 PolarHBondContact N-O 2.96Å; V291-V307 PolarHBondContact O-N 3.35Å; V291-V307 VanDerWaalsContact O-N 3.12Å; V291-I309 HydrophobicContact CG2-CD1 3.5Å; V291-I309 VanDerWaalsContact CG2-CD1 3.5Å; V291-I309 HydrophobicContact CG2-CG1 4.28Å; V291-V421 HydrophobicContact CG1-CG1 3.81Å; V291-I423 HydrophobicContact CG2-CG1 4.29Å; V291-I423 HydrophobicContact CG2-CG2 4.39Å |
| 292 | H | 46.1 | Very low | 41.9 | Very low | 54 Ų | 54 | 86.2 Ų | 86.2 | 25% | 0.25 | 47% | 0.471 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 130 | 173.1 | -163.4 | -80.5 | 0 | 0 | 0 | 108.5 | S294 E304 V421 E422 | H292-S294 PolarHBondContact CE1-OG 3.12Å; H292-S294 PolarHBondContact ND1-OG 2.89Å; H292-E304 IonicContact CD2-OE1 3.79Å; H292-E304 IonicContact CE1-OE1 2.66Å; H292-E304 WeakPolarHBondContact NE2-CG 3.43Å; H292-E304 IonicContact NE2-OE1 2.75Å; H292-E304 PolarHBondContact NE2-OE1 3.1Å; H292-E304 IonicContact NE2-OE2 3.03Å; H292-V421 WeakPolarHBondContact O-CA 3.3Å; H292-E422 HydrophobicContact CB-CB 4.17Å; H292-E422 PolarHBondContact N-O 3.48Å; H292-E422 PolarHBondContact O-N 3.16Å; H292-E422 VanDerWaalsContact O-N 3.1Å |
| 293 | I | 42.5 | Very low | 42.8 | Very low | 68 Ų | 68 | 84 Ų | 84 | 35% | 0.349 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 110.5 | 178.6 | -53.9 | -179.3 | 0 | 0 | 0 | 108.3 | V291 L419 | V291-I293 HydrophobicContact CG1-CG1 4Å; I293-L419 HydrophobicContact CG2-CD1 3.75Å |
| 294 | S | 41.4 | Very low | 43.6 | Very low | 36 Ų | 36 | 86 Ų | 86 | 25% | 0.252 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 126.5 | 177.4 | -73.7 | 0 | 0 | 0 | 0 | 110.2 | H292 E420 | H292-S294 PolarHBondContact CE1-OG 3.12Å; H292-S294 PolarHBondContact ND1-OG 2.89Å; S294-E420 PolarHBondContact N-O 3.01Å; S294-E420 PolarHBondContact O-N 2.98Å |
| 295 | S | 42.3 | Very low | 44 | Very low | 33 Ų | 33 | 79.4 Ų | 79.4 | 23% | 0.231 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 120.3 | -178.4 | 180 | 0 | 0 | 0 | 0 | 109.7 | V302 | S295-V302 PolarHBondContact O-N 2.68Å |
| 296 | V | 48.5 | Very low | 44.3 | Very low | 47 Ų | 47 | 76.6 Ų | 76.6 | 29% | 0.285 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 127.7 | 178.7 | -175.8 | 0 | 0 | 0 | 0 | 109.5 | H418 | V296-H418 PolarHBondContact N-O 3.22Å; V296-H418 PolarHBondContact O-N 3.35Å |
| 297 | Y | 44.5 | Very low | 44.6 | Very low | 126 Ų | 126 | 71.2 Ų | 71.2 | 49% | 0.494 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 116 | 176.5 | -179.5 | -110.7 | 0 | 0 | 0 | 109.6 | D299 V300 | Y297-D299 PolarHBondContact O-N 3.25Å; Y297-V300 PolarHBondContact N-O 3.45Å; Y297-V300 WeakPolarHBondContact O-CB 3.29Å; Y297-V300 PolarHBondContact O-N 3.41Å; Y297-V300 VanDerWaalsContact O-N 3.12Å |
| 298 | N | 48.3 | Very low | 44.5 | Very low | 92 Ų | 92 | 75.7 Ų | 75.7 | 49% | 0.492 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.8 | 50.5 | -175.8 | -56.1 | -31.8 | 0 | 0 | 0 | 113.2 | V300 | N298-V300 PolarHBondContact O-N 3.44Š|
| 299 | D | 56.6 | Low | 44.8 | Very low | 158 Ų | 158 | 72.2 Ų | 72.2 | 85% | 0.845 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58 | 11.3 | -176.8 | -53.8 | -33.7 | 0 | 0 | 0 | 115.5 | Y297 | Y297-D299 PolarHBondContact O-N 3.25Š|
| 300 | V | 41.1 | Very low | 44.8 | Very low | 89 Ų | 89 | 77.4 Ų | 77.4 | 54% | 0.539 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 125.8 | 172.5 | -178.6 | 0 | 0 | 0 | 0 | 109.3 | Y297 N298 V302 | Y297-V300 PolarHBondContact N-O 3.45Å; Y297-V300 WeakPolarHBondContact O-CB 3.29Å; Y297-V300 PolarHBondContact O-N 3.41Å; Y297-V300 VanDerWaalsContact O-N 3.12Å; N298-V300 PolarHBondContact O-N 3.44Å; V300-V302 PolarHBondContact O-N 2.94Å |
| 301 | P | 51.7 | Low | 44.6 | Very low | 106 Ų | 106 | 80 Ų | 80 | 69% | 0.688 | 43% | 0.431 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 122 | 171.3 | 28.6 | -32.8 | 0 | 0 | 0 | 109.9 | ||
| 302 | V | 49.5 | Very low | 44 | Very low | 75 Ų | 75 | 83.3 Ų | 83.3 | 46% | 0.455 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 141.2 | 169.4 | -176.7 | 0 | 0 | 0 | 0 | 107.9 | S295 V300 E304 | S295-V302 PolarHBondContact O-N 2.68Å; V300-V302 PolarHBondContact O-N 2.94Å; V302-E304 PolarHBondContact O-N 3Å |
| 303 | T | 46.4 | Very low | 43.6 | Very low | 129 Ų | 129 | 87.2 Ų | 87.2 | 79% | 0.791 | 48% | 0.478 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -50.9 | 119.4 | -165.2 | 44.2 | 0 | 0 | 0 | 0 | 114.3 | ||
| 304 | E | 46.8 | Very low | 43.4 | Very low | 125 Ų | 125 | 93.1 Ų | 93.1 | 58% | 0.584 | 50% | 0.504 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -43.2 | 130.8 | 169.8 | 178.7 | 178.9 | 162.4 | 0 | 0 | 113.6 | H292 V302 | H292-E304 IonicContact CD2-OE1 3.79Å; H292-E304 IonicContact CE1-OE1 2.66Å; H292-E304 WeakPolarHBondContact NE2-CG 3.43Å; H292-E304 IonicContact NE2-OE1 2.75Å; H292-E304 PolarHBondContact NE2-OE1 3.1Å; H292-E304 IonicContact NE2-OE2 3.03Å; V302-E304 PolarHBondContact O-N 3Å |
| 305 | G | 42.2 | Very low | 42.9 | Very low | 34 Ų | 34 | 97.9 Ų | 97.9 | 35% | 0.351 | 52% | 0.523 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 116.5 | 176 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 306 | V | 40.7 | Very low | 42.5 | Very low | 72 Ų | 72 | 100.5 Ų | 100.5 | 44% | 0.436 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 123.1 | 174.5 | -179.4 | 0 | 0 | 0 | 0 | 109.4 | T290 Y308 | T290-V306 HydrophobicContact CG2-CG1 3.69Å; V306-Y308 HydrophobicContact CG1-CE2 4.49Å |
| 307 | V | 43.8 | Very low | 41.7 | Very low | 37 Ų | 37 | 101.4 Ų | 101.4 | 22% | 0.224 | 54% | 0.538 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 124.8 | 176.6 | -175.8 | 0 | 0 | 0 | 0 | 110 | V291 I318 | V291-V307 PolarHBondContact N-O 2.96Å; V291-V307 PolarHBondContact O-N 3.35Å; V291-V307 VanDerWaalsContact O-N 3.12Å; V307-I318 HydrophobicContact CG1-CG2 4.19Å |
| 308 | Y | 39.7 | Very low | 41.4 | Very low | 142 Ų | 142 | 99.1 Ų | 99.1 | 56% | 0.557 | 53% | 0.534 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 132.2 | 172.5 | -59.3 | -79.3 | 0 | 0 | 0 | 109.9 | M288 V306 P319 | M288-Y308 HydrophobicContact CE-CD1 4.05Å; V306-Y308 HydrophobicContact CG1-CE2 4.49Å; Y308-P319 WeakPolarHBondContact O-CD 3.45Å; Y308-P319 WeakPolarHBondContact O-CG 3.49Å |
| 309 | I | 44.4 | Very low | 40.8 | Very low | 27 Ų | 27 | 97.9 Ų | 97.9 | 14% | 0.138 | 53% | 0.531 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 123 | 175.3 | -61 | -175.5 | 0 | 0 | 0 | 109.2 | S289 V291 I316 I318 | S289-I309 PolarHBondContact N-O 3.49Å; S289-I309 PolarHBondContact O-N 3Å; V291-I309 HydrophobicContact CG2-CD1 3.5Å; V291-I309 VanDerWaalsContact CG2-CD1 3.5Å; V291-I309 HydrophobicContact CG2-CG1 4.28Å; I309-I316 HydrophobicContact CG2-CG2 3.64Å; I309-I318 HydrophobicContact CD1-CD1 4.3Å; I309-I318 HydrophobicContact CD1-CG1 4.15Å; I309-I318 HydrophobicContact CG1-CG1 4.4Å |
| 310 | E | 38.9 | Very low | 39.8 | Very low | 121 Ų | 121 | 99.3 Ų | 99.3 | 57% | 0.565 | 53% | 0.53 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88 | 118.1 | 170.7 | -171.2 | -176.8 | 167.5 | 0 | 0 | 108.6 | ||
| 311 | Q | 35.9 | Very low | 39.6 | Very low | 91 Ų | 91 | 100.3 Ų | 100.3 | 43% | 0.425 | 54% | 0.536 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 89.9 | -175.2 | -171.2 | 171.8 | 17.8 | 0 | 0 | 111.5 | ||
| 312 | L | 32.8 | Very low | 38.7 | Very low | 88 Ų | 88 | 102 Ų | 102 | 46% | 0.461 | 54% | 0.54 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 146.1 | 168.1 | -62.7 | 173.8 | 0 | 0 | 0 | 110 | E314 Q315 | L312-E314 PolarHBondContact O-N 3.22Å; L312-Q315 PolarHBondContact N-O 3.05Å; L312-Q315 PolarHBondContact O-N 3.33Å |
| 313 | P | 37.2 | Very low | 37.9 | Very low | 136 Ų | 136 | 106.1 Ų | 106.1 | 88% | 0.883 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.2 | -23.5 | -168.1 | -30.5 | 36.6 | 0 | 0 | 0 | 116.9 | ||
| 314 | E | 38.3 | Very low | 37.2 | Very low | 191 Ų | 191 | 105.5 Ų | 105.5 | 89% | 0.893 | 55% | 0.55 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.1 | 1.4 | 178.4 | -58.2 | -167.5 | 152.5 | 0 | 0 | 113.8 | L312 | L312-E314 PolarHBondContact O-N 3.22Š|
| 315 | Q | 32.5 | Very low | 36.4 | Very low | 136 Ų | 136 | 103.9 Ų | 103.9 | 64% | 0.636 | 56% | 0.558 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -153.3 | 116.3 | -173 | -155.1 | 144.8 | 117 | 0 | 0 | 113.1 | L312 V317 | L312-Q315 PolarHBondContact N-O 3.05Å; L312-Q315 PolarHBondContact O-N 3.33Å; Q315-V317 HydrophobicContact CG-CG2 4.33Å; Q315-V317 PolarHBondContact O-N 2.92Å |
| 316 | I | 33.9 | Very low | 35.7 | Very low | 89 Ų | 89 | 107.8 Ų | 107.8 | 46% | 0.456 | 58% | 0.579 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -80.3 | 113.9 | 169.1 | -58.7 | 174.7 | 0 | 0 | 0 | 107.8 | I309 I318 | I309-I316 HydrophobicContact CG2-CG2 3.64Å; I316-I318 HydrophobicContact CG2-CG1 4.12Å |
| 317 | V | 31.1 | Very low | 35.1 | Very low | 65 Ų | 65 | 112.8 Ų | 112.8 | 39% | 0.394 | 60% | 0.602 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -104.4 | 120.6 | 173.8 | -178.3 | 0 | 0 | 0 | 0 | 108.1 | Q315 P319 | Q315-V317 HydrophobicContact CG-CG2 4.33Å; Q315-V317 PolarHBondContact O-N 2.92Å; V317-P319 WeakPolarHBondContact O-CD 3.28Å |
| 318 | I | 37.7 | Very low | 34.5 | Very low | 79 Ų | 79 | 119.3 Ų | 119.3 | 41% | 0.405 | 63% | 0.627 | S | S | . | * | trans | -102.5 | 105.2 | 177.3 | -55.6 | 179.6 | 0 | 0 | 0 | 108.1 | V307 I309 I316 F320 | V307-I318 HydrophobicContact CG1-CG2 4.19Å; I309-I318 HydrophobicContact CD1-CD1 4.3Å; I309-I318 HydrophobicContact CD1-CG1 4.15Å; I309-I318 HydrophobicContact CG1-CG1 4.4Å; I316-I318 HydrophobicContact CG2-CG1 4.12Å; I318-F320 HydrophobicContact CB-CE2 4.47Å; I318-F320 HydrophobicContact CG2-CE2 4.31Å; I318-F320 HydrophobicContact CG2-CZ 4.28Å; I318-F320 PolarHBondContact O-N 3.26Å | ||
| 319 | P | 35.3 | Very low | 34.2 | Very low | 66 Ų | 66 | 121.4 Ų | 121.4 | 43% | 0.429 | 64% | 0.642 | S | S | . | * | trans | -72.3 | 120.2 | 172.3 | 29.3 | -32.8 | 0 | 0 | 0 | 110 | Y308 V317 T321 | Y308-P319 WeakPolarHBondContact O-CD 3.45Å; Y308-P319 WeakPolarHBondContact O-CG 3.49Å; V317-P319 WeakPolarHBondContact O-CD 3.28Å; P319-T321 PolarHBondContact O-N 2.91Å | ||
| 320 | F | 35.6 | Very low | 33.7 | Very low | 188 Ų | 188 | 126.5 Ų | 126.5 | 83% | 0.825 | 67% | 0.669 | S | S | * | * | trans | -88 | 105 | 172.6 | -70.5 | -84.8 | 0 | 0 | 0 | 110 | I318 D322 | I318-F320 HydrophobicContact CB-CE2 4.47Å; I318-F320 HydrophobicContact CG2-CE2 4.31Å; I318-F320 HydrophobicContact CG2-CZ 4.28Å; I318-F320 PolarHBondContact O-N 3.26Å; F320-D322 PolarHBondContact O-N 3.22Å | ||
| 321 | T | 37 | Very low | 33.3 | Very low | 109 Ų | 109 | 130 Ų | 130 | 67% | 0.669 | 69% | 0.686 | S | S | * | * | trans | -72 | 110.8 | 176.5 | -40.4 | 0 | 0 | 0 | 0 | 110.5 | P319 Q323 | P319-T321 PolarHBondContact O-N 2.91Å; T321-Q323 HydrophobicContact CG2-CG 4Å; T321-Q323 PolarHBondContact O-N 3.02Å | ||
| 322 | D | 33.4 | Very low | 33.1 | Very low | 141 Ų | 141 | 134.5 Ų | 134.5 | 75% | 0.754 | 71% | 0.707 | S | S | * | * | trans | -76.5 | 82.9 | -178.7 | -166.1 | 16.2 | 0 | 0 | 0 | 111.7 | F320 | F320-D322 PolarHBondContact O-N 3.22Š| ||
| 323 | Q | 32.9 | Very low | 33.3 | Very low | 163 Ų | 163 | 136.2 Ų | 136.2 | 76% | 0.762 | 73% | 0.726 | S | S | * | * | trans | -122 | 79.2 | 178.1 | -75.5 | -85.4 | 23.4 | 0 | 0 | 109.6 | T321 A325 | T321-Q323 HydrophobicContact CG2-CG 4Å; T321-Q323 PolarHBondContact O-N 3.02Å; Q323-A325 PolarHBondContact O-N 3Å; Q323-A325 VanDerWaalsContact O-N 3.14Å | ||
| 324 | V | 31.2 | Very low | 33.2 | Very low | 116 Ų | 116 | 139 Ų | 139 | 70% | 0.703 | 73% | 0.725 | S | S | * | * | trans | -66.2 | 108.8 | 175.2 | -83.9 | 0 | 0 | 0 | 0 | 111.6 | C326 | V324-C326 PolarHBondContact O-N 2.77Š| ||
| 325 | A | 29.7 | Very low | 33.2 | Very low | 91 Ų | 91 | 137.3 Ų | 137.3 | 75% | 0.752 | 72% | 0.717 | S | S | * | * | trans | -69.6 | 94.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q323 L327 | Q323-A325 PolarHBondContact O-N 3Å; Q323-A325 VanDerWaalsContact O-N 3.14Å; A325-L327 PolarHBondContact O-N 3Å | ||
| 326 | C | 29 | Very low | 33.3 | Very low | 116 Ų | 116 | 137.4 Ų | 137.4 | 78% | 0.784 | 72% | 0.721 | S | S | * | * | trans | -64.9 | 97.4 | 179 | -67.6 | 0 | 0 | 0 | 0 | 112 | V324 K328 | V324-C326 PolarHBondContact O-N 2.77Å; C326-K328 PolarHBondContact O-N 3.15Å; C326-K328 VanDerWaalsContact O-N 3.08Å | ||
| 327 | L | 27.6 | Very low | 33.3 | Very low | 177 Ų | 177 | 141.2 Ų | 141.2 | 93% | 0.927 | 74% | 0.737 | S | S | * | * | trans | -63.9 | 109 | 170.8 | -115.5 | 172.7 | 0 | 0 | 0 | 109.7 | A325 E329 | A325-L327 PolarHBondContact O-N 3Å; L327-E329 PolarHBondContact O-N 3.35Å; L327-E329 VanDerWaalsContact O-N 3.14Å | ||
| 328 | K | 30.6 | Very low | 33.5 | Very low | 174 Ų | 174 | 145.7 Ų | 145.7 | 76% | 0.757 | 75% | 0.754 | S | S | * | * | trans | -83.4 | 90.1 | -174.6 | -169 | -178.8 | -177.4 | -176 | 0 | 110.5 | C326 N330 | C326-K328 PolarHBondContact O-N 3.15Å; C326-K328 VanDerWaalsContact O-N 3.08Å; K328-N330 PolarHBondContact O-N 3.44Å | ||
| 329 | E | 33.2 | Very low | 33.3 | Very low | 186 Ų | 186 | 147.4 Ų | 147.4 | 87% | 0.869 | 77% | 0.773 | S | S | * | * | trans | -59.1 | 120.7 | 168.7 | -171 | 176.1 | 175.5 | 0 | 0 | 109.5 | L327 | L327-E329 PolarHBondContact O-N 3.35Å; L327-E329 VanDerWaalsContact O-N 3.14Å | ||
| 330 | N | 34.3 | Very low | 33.3 | Very low | 133 Ų | 133 | 149.8 Ų | 149.8 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | trans | -85.1 | 122.5 | 176.3 | -73.7 | -48 | 0 | 0 | 0 | 109.3 | K328 Q332 | K328-N330 PolarHBondContact O-N 3.44Å; N330-Q332 PolarHBondContact O-N 3.1Å; N330-Q332 VanDerWaalsContact O-N 3.17Å | ||
| 331 | E | 30.2 | Very low | 33.1 | Very low | 195 Ų | 195 | 152.4 Ų | 152.4 | 91% | 0.911 | 79% | 0.793 | S | S | * | * | trans | -56.9 | 114 | 176.4 | -56.1 | 178 | 100.4 | 0 | 0 | 111.9 | ||||
| 332 | Q | 31.3 | Very low | 32.9 | Very low | 186 Ų | 186 | 153.4 Ų | 153.4 | 87% | 0.869 | 80% | 0.798 | S | S | * | * | trans | -165.2 | 74.9 | 146.2 | -159.6 | 162.8 | -21.1 | 0 | 0 | 115.4 | N330 | N330-Q332 PolarHBondContact O-N 3.1Å; N330-Q332 VanDerWaalsContact O-N 3.17Å | ||
| 333 | S | 38 | Very low | 32.6 | Very low | 123 Ų | 123 | 152 Ų | 152 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | trans | -172 | 133.3 | 138.4 | 28.4 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 334 | K | 34.2 | Very low | 32.7 | Very low | 196 Ų | 196 | 149.1 Ų | 149.1 | 85% | 0.852 | 80% | 0.795 | S | S | * | * | trans | -88.4 | 163.6 | 154.5 | -60.5 | 175 | -179.1 | 176.5 | 0 | 106.4 | ||||
| 335 | E | 39.5 | Very low | 32.6 | Very low | 155 Ų | 155 | 153 Ų | 153 | 72% | 0.724 | 80% | 0.802 | S | S | * | * | cis | -172.1 | 165.2 | 42.2 | -157.7 | -179.7 | 114.1 | 0 | 0 | 111.8 | ||||
| 336 | N | 34.4 | Very low | 32.3 | Very low | 138 Ų | 138 | 153.1 Ų | 153.1 | 74% | 0.738 | 80% | 0.797 | S | S | * | * | trans | 79.4 | 150.5 | 161.4 | -70.2 | -50.1 | 0 | 0 | 0 | 121.4 | ||||
| 337 | E | 32.9 | Very low | 32.3 | Very low | 169 Ų | 169 | 154 Ų | 154 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | trans | -114.1 | 172.8 | -166.3 | -56.5 | 171.8 | 65.3 | 0 | 0 | 112.2 | ||||
| 338 | Q | 36.5 | Very low | 32.4 | Very low | 158 Ų | 158 | 151.7 Ų | 151.7 | 74% | 0.738 | 79% | 0.792 | S | S | * | * | 144.5 | 92.8 | 107.1 | -158.4 | 150.7 | 88.3 | 0 | 0 | 115.8 | |||||
| 339 | S | 33.7 | Very low | 32.3 | Very low | 116 Ų | 116 | 151.8 Ų | 151.8 | 81% | 0.811 | 80% | 0.795 | S | S | * | * | trans | 65.1 | 129.6 | 147.6 | -64.3 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 340 | P | 34.4 | Very low | 32.2 | Very low | 115 Ų | 115 | 153.1 Ų | 153.1 | 75% | 0.747 | 80% | 0.798 | S | S | * | * | trans | -108.9 | 167.1 | 174.8 | 40.9 | -34.5 | 0 | 0 | 0 | 114.5 | ||||
| 341 | R | 30.6 | Very low | 31.9 | Very low | 244 Ų | 244 | 152.6 Ų | 152.6 | 92% | 0.921 | 80% | 0.8 | S | S | * | * | trans | -164.4 | 153.6 | 158.6 | -125.4 | 173.8 | -162.8 | -153.7 | 3.5 | 117.3 | ||||
| 342 | V | 33.3 | Very low | 32.1 | Very low | 130 Ų | 130 | 149.7 Ų | 149.7 | 79% | 0.788 | 80% | 0.796 | S | S | * | * | trans | 76.8 | 107 | 163.2 | -168.7 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 343 | S | 27.3 | Very low | 32 | Very low | 111 Ų | 111 | 146.9 Ų | 146.9 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | trans | -93.5 | 162.9 | 147.3 | -27.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 344 | P | 34.1 | Very low | 31.7 | Very low | 102 Ų | 102 | 144.9 Ų | 144.9 | 66% | 0.662 | 80% | 0.795 | S | S | * | * | -162.9 | 162.3 | 85.8 | 41.8 | -22 | 0 | 0 | 0 | 119.3 | |||||
| 345 | K | 28.9 | Very low | 31.7 | Very low | 198 Ų | 198 | 143.8 Ų | 143.8 | 86% | 0.861 | 80% | 0.795 | S | S | * | * | trans | 59.4 | 160.5 | 141 | -74.6 | 172.8 | -178 | 179 | 0 | 120.2 | ||||
| 346 | S | 25.1 | Very low | 31.3 | Very low | 93 Ų | 93 | 141.6 Ų | 141.6 | 65% | 0.65 | 80% | 0.797 | S | S | * | * | cis | -179.3 | -173.4 | -28.9 | 55.8 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 347 | V | 27.7 | Very low | 31.4 | Very low | 134 Ų | 134 | 145.6 Ų | 145.6 | 81% | 0.812 | 81% | 0.808 | S | S | * | * | trans | 80.4 | 133.3 | 170.7 | 174.8 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 348 | V | 30.3 | Very low | 31.3 | Very low | 130 Ų | 130 | 146.4 Ų | 146.4 | 79% | 0.788 | 81% | 0.809 | S | S | * | * | cis | -152.8 | 164.8 | -8.7 | 115.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 349 | E | 27.9 | Very low | 31 | Very low | 175 Ų | 175 | 144.1 Ų | 144.1 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | trans | -72.9 | 161.7 | 178.6 | -50.9 | 173 | 117.8 | 0 | 0 | 115.4 | ||||
| 350 | K | 31.9 | Very low | 30.8 | Very low | 214 Ų | 214 | 143.8 Ų | 143.8 | 93% | 0.93 | 80% | 0.803 | S | S | * | * | trans | -151.8 | 140.7 | 146.7 | -158.6 | 169.8 | -175.5 | 178.6 | 0 | 112.5 | ||||
| 351 | T | 26.6 | Very low | 30.6 | Very low | 123 Ų | 123 | 146.9 Ų | 146.9 | 76% | 0.755 | 81% | 0.808 | S | S | * | * | trans | -119.9 | 133.2 | -163.8 | -7.4 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 352 | T | 34.7 | Very low | 30.4 | Very low | 134 Ų | 134 | 140.1 Ų | 140.1 | 82% | 0.822 | 80% | 0.798 | S | S | * | * | trans | -158 | 110 | 157.8 | 43.9 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 353 | S | 29.2 | Very low | 30.4 | Very low | 127 Ų | 127 | 140.6 Ų | 140.6 | 89% | 0.888 | 80% | 0.8 | S | S | * | * | 71.6 | 113.4 | 69 | -166.4 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 354 | G | 32.1 | Very low | 30.6 | Very low | 80 Ų | 80 | 144.4 Ų | 144.4 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | trans | -178.3 | 50.4 | -171.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 355 | M | 33.9 | Very low | 30.1 | Very low | 174 Ų | 174 | 147.9 Ų | 147.9 | 86% | 0.857 | 82% | 0.815 | S | S | * | * | trans | -15.2 | 118.6 | 176.4 | -170.3 | 170.2 | 71.5 | 0 | 0 | 121.8 | ||||
| 356 | S | 31.9 | Very low | 30.2 | Very low | 108 Ų | 108 | 142.7 Ų | 142.7 | 76% | 0.755 | 81% | 0.809 | S | S | * | * | trans | 41.9 | 136 | 134.7 | -47.7 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 357 | K | 37.2 | Very low | 30.3 | Very low | 222 Ų | 222 | 147.2 Ų | 147.2 | 97% | 0.965 | 82% | 0.82 | S | S | * | * | -154.8 | 165.8 | 120.2 | -110.8 | 163 | -170.5 | 175.9 | 0 | 112.5 | |||||
| 358 | K | 30.1 | Very low | 30.4 | Very low | 186 Ų | 186 | 148.9 Ų | 148.9 | 81% | 0.809 | 82% | 0.823 | S | S | * | * | trans | -120.4 | 142.5 | -166.8 | 171.9 | -173.7 | 177.9 | -176.3 | 0 | 110.2 | ||||
| 359 | S | 30.8 | Very low | 30.4 | Very low | 110 Ų | 110 | 150.8 Ų | 150.8 | 77% | 0.769 | 82% | 0.824 | S | S | * | * | trans | -134.6 | 156 | 153.2 | -162.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 360 | V | 28.8 | Very low | 30.5 | Very low | 110 Ų | 110 | 150.9 Ų | 150.9 | 67% | 0.667 | 82% | 0.824 | S | S | * | * | trans | -142.6 | 128.8 | 174.4 | 170.7 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 361 | E | 29.6 | Very low | 30.6 | Very low | 180 Ų | 180 | 148.5 Ų | 148.5 | 84% | 0.841 | 82% | 0.821 | S | S | * | * | trans | -140.8 | 150.6 | 172.5 | -167.1 | 147.4 | -148.5 | 0 | 0 | 110.6 | ||||
| 362 | S | 26.9 | Very low | 30.7 | Very low | 102 Ų | 102 | 147 Ų | 147 | 71% | 0.713 | 82% | 0.822 | S | S | * | * | trans | -137.4 | 121.4 | -168.6 | -58.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 363 | V | 33.6 | Very low | 30.7 | Very low | 139 Ų | 139 | 149.6 Ų | 149.6 | 84% | 0.842 | 82% | 0.821 | S | S | * | * | trans | -119.5 | 93.2 | 172.9 | -174.6 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 364 | K | 31.4 | Very low | 30.7 | Very low | 191 Ų | 191 | 154.4 Ų | 154.4 | 83% | 0.83 | 82% | 0.822 | S | S | * | * | 72.4 | 83.5 | 76.2 | -164.3 | -179.4 | -173.3 | -177 | 0 | 111.3 | |||||
| 365 | L | 24.6 | Very low | 30.5 | Very low | 176 Ų | 176 | 155.2 Ų | 155.2 | 92% | 0.921 | 82% | 0.815 | S | S | * | * | trans | -62.2 | 129.1 | 176.4 | -144.9 | 172.9 | 0 | 0 | 0 | 109.9 | ||||
| 366 | A | 30.6 | Very low | 30.5 | Very low | 88 Ų | 88 | 150.9 Ų | 150.9 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | trans | -107 | 140 | 176 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 367 | Q | 26 | Very low | 30.4 | Very low | 188 Ų | 188 | 150.8 Ų | 150.8 | 88% | 0.879 | 80% | 0.796 | S | S | * | * | trans | -76.3 | 135.2 | -177.5 | -178.4 | 177.3 | 3.1 | 0 | 0 | 111 | ||||
| 368 | L | 30.4 | Very low | 30 | Very low | 170 Ų | 170 | 148.1 Ų | 148.1 | 89% | 0.89 | 78% | 0.781 | S | S | * | * | trans | -138.2 | 144.6 | 166.7 | -166.5 | 137.2 | 0 | 0 | 0 | 109.9 | ||||
| 369 | E | 30.5 | Very low | 30.1 | Very low | 170 Ų | 170 | 144.6 Ų | 144.6 | 79% | 0.794 | 77% | 0.769 | S | S | * | * | trans | -89.5 | 164.1 | -160.3 | -74.9 | 174.5 | 101.6 | 0 | 0 | 115.6 | ||||
| 370 | E | 29.9 | Very low | 30 | Very low | 177 Ų | 177 | 147 Ų | 147 | 83% | 0.827 | 77% | 0.768 | S | S | * | * | trans | -59.4 | 131.5 | 177.3 | 179.3 | 179.2 | 163.2 | 0 | 0 | 113.1 | ||||
| 371 | N | 33.8 | Very low | 30.4 | Very low | 163 Ų | 163 | 145.4 Ų | 145.4 | 87% | 0.872 | 77% | 0.766 | S | S | * | * | trans | -143 | 133.6 | 154.5 | -99.7 | -76.7 | 0 | 0 | 0 | 109.6 | ||||
| 372 | A | 29.2 | Very low | 30.2 | Very low | 92 Ų | 92 | 144.8 Ų | 144.8 | 76% | 0.76 | 76% | 0.763 | S | S | * | * | trans | -96 | 110.1 | -164.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 373 | K | 35 | Very low | 30.5 | Very low | 188 Ų | 188 | 143.6 Ų | 143.6 | 82% | 0.817 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -160.8 | 133.9 | 149.5 | -110.7 | 171.6 | -177.2 | -178.9 | 0 | 109.8 | S375 | K373-S375 PolarHBondContact O-N 3.43Å; K373-S375 VanDerWaalsContact O-N 3.14Å |
| 374 | Y | 28.2 | Very low | 30.1 | Very low | 228 Ų | 228 | 142.9 Ų | 142.9 | 89% | 0.894 | 76% | 0.756 | S | S | * | * | trans | 8.2 | 84.9 | 169.8 | -56.6 | -84 | 0 | 0 | 0 | 116.3 | S376 | Y374-S376 PolarHBondContact O-N 3.48Š| ||
| 375 | S | 28.5 | Very low | 30.1 | Very low | 98 Ų | 98 | 137.8 Ų | 137.8 | 69% | 0.685 | 75% | 0.749 | S | S | * | * | trans | -82.6 | 105.4 | 176.6 | -171.4 | 0 | 0 | 0 | 0 | 109.9 | K373 | K373-S375 PolarHBondContact O-N 3.43Å; K373-S375 VanDerWaalsContact O-N 3.14Å | ||
| 376 | S | 33.6 | Very low | 30.3 | Very low | 82 Ų | 82 | 137.2 Ų | 137.2 | 57% | 0.573 | 75% | 0.747 | S | S | * | * | trans | -59.4 | 154.3 | 138.9 | 51.6 | 0 | 0 | 0 | 0 | 108.4 | Y374 | Y374-S376 PolarHBondContact O-N 3.48Š| ||
| 377 | V | 29.5 | Very low | 30.4 | Very low | 106 Ų | 106 | 140 Ų | 140 | 64% | 0.642 | 75% | 0.748 | S | S | * | * | trans | -114.5 | 91.9 | 176.2 | -180 | 0 | 0 | 0 | 0 | 107.4 | M379 | V377-M379 PolarHBondContact O-N 3.39Š| ||
| 378 | Y | 28.9 | Very low | 30.6 | Very low | 167 Ų | 167 | 135.9 Ų | 135.9 | 66% | 0.655 | 74% | 0.74 | S | S | * | * | trans | -60.7 | 125.4 | 170.1 | -111.6 | -119.7 | 0 | 0 | 0 | 109.5 | E380 | Y378-E380 HydrophobicContact CD1-CG 4.44Š| ||
| 379 | M | 32.8 | Very low | 30.8 | Very low | 111 Ų | 111 | 131.9 Ų | 131.9 | 55% | 0.547 | 72% | 0.72 | S | S | . | * | trans | -134.9 | 91.4 | 167.3 | -88.5 | -167.9 | -63.2 | 0 | 0 | 108.6 | L8 V377 | L8-M379 HydrophobicContact CB-CE 4.5Å; L8-M379 HydrophobicContact CD2-CE 3.61Å; V377-M379 PolarHBondContact O-N 3.39Å | ||
| 380 | E | 29 | Very low | 30.8 | Very low | 161 Ų | 161 | 130.1 Ų | 130.1 | 75% | 0.752 | 72% | 0.721 | S | S | * | * | trans | -66.6 | 136.3 | 164.2 | -65.5 | 167.8 | 130.1 | 0 | 0 | 109 | Y378 | Y378-E380 HydrophobicContact CD1-CG 4.44Š| ||
| 381 | A | 35.6 | Very low | 30.8 | Very low | 76 Ų | 76 | 126.7 Ų | 126.7 | 63% | 0.628 | 72% | 0.717 | S | S | * | * | trans | -134.3 | 70.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | A383 | A381-A383 PolarHBondContact O-N 3.23Š| ||
| 382 | E | 27.2 | Very low | 31 | Very low | 167 Ų | 167 | 126 Ų | 126 | 78% | 0.78 | 71% | 0.712 | S | S | * | * | trans | -53.4 | 122.2 | 179.2 | -69.2 | -169.3 | 125.8 | 0 | 0 | 112.4 | ||||
| 383 | A | 31.4 | Very low | 31.1 | Very low | 77 Ų | 77 | 131.3 Ų | 131.3 | 64% | 0.636 | 72% | 0.718 | S | S | * | * | trans | -121.9 | 79.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | A381 A385 | A381-A383 PolarHBondContact O-N 3.23Å; A383-A385 PolarHBondContact O-N 2.97Å | ||
| 384 | T | 27 | Very low | 30.8 | Very low | 125 Ų | 125 | 125.5 Ų | 125.5 | 77% | 0.767 | 71% | 0.712 | S | S | * | * | trans | -70.7 | 89.3 | -179.4 | 29.9 | 0 | 0 | 0 | 0 | 112.8 | L386 | T384-L386 PolarHBondContact O-N 3.32Š| ||
| 385 | A | 31.2 | Very low | 31 | Very low | 83 Ų | 83 | 123.5 Ų | 123.5 | 69% | 0.686 | 71% | 0.71 | S | S | * | * | trans | -81.5 | 102.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | A383 L387 | A383-A385 PolarHBondContact O-N 2.97Å; A385-L387 PolarHBondContact O-N 3.02Å | ||
| 386 | L | 29.2 | Very low | 31.2 | Very low | 165 Ų | 165 | 123.7 Ų | 123.7 | 86% | 0.864 | 71% | 0.709 | S | S | * | * | trans | -72.7 | 88.5 | 175.1 | -67.3 | 177.1 | 0 | 0 | 0 | 111.7 | T384 S388 | T384-L386 PolarHBondContact O-N 3.32Å; L386-S388 PolarHBondContact O-N 2.94Å | ||
| 387 | L | 31.7 | Very low | 31 | Very low | 146 Ų | 146 | 128.1 Ų | 128.1 | 76% | 0.764 | 72% | 0.721 | S | S | * | * | trans | -72.7 | 103.6 | 171.9 | -68.6 | 175.9 | 0 | 0 | 0 | 110.6 | A385 D389 | A385-L387 PolarHBondContact O-N 3.02Å; L387-D389 PolarHBondContact O-N 3.31Å; L387-D389 VanDerWaalsContact O-N 3.17Å | ||
| 388 | S | 30.3 | Very low | 31.1 | Very low | 102 Ų | 102 | 129.4 Ų | 129.4 | 71% | 0.713 | 73% | 0.728 | S | S | * | * | trans | -73.4 | 102.6 | 170.9 | -63.7 | 0 | 0 | 0 | 0 | 109.7 | L386 T390 | L386-S388 PolarHBondContact O-N 2.94Å; S388-T390 VanDerWaalsContact C-N 3.29Å; S388-T390 PolarHBondContact O-N 3.41Å | ||
| 389 | D | 34 | Very low | 31.2 | Very low | 86 Ų | 86 | 126.3 Ų | 126.3 | 46% | 0.46 | 73% | 0.729 | S | S | . | * | trans | -75.5 | 71.9 | -172.4 | -163.7 | -8.5 | 0 | 0 | 0 | 112.8 | L387 K415 | L387-D389 PolarHBondContact O-N 3.31Å; L387-D389 VanDerWaalsContact O-N 3.17Å; D389-K415 IonicContact OD2-NZ 3.78Å; D389-K415 PolarHBondContact OD2-NZ 2.95Å | ||
| 390 | T | 30.2 | Very low | 30.9 | Very low | 133 Ų | 133 | 125.8 Ų | 125.8 | 82% | 0.816 | 74% | 0.742 | S | S | * | * | trans | -104.9 | 40.6 | -179.8 | 66.5 | 0 | 0 | 0 | 0 | 112.7 | S388 | S388-T390 VanDerWaalsContact C-N 3.29Å; S388-T390 PolarHBondContact O-N 3.41Å | ||
| 391 | S | 31.5 | Very low | 30.9 | Very low | 105 Ų | 105 | 127.5 Ų | 127.5 | 73% | 0.734 | 75% | 0.75 | S | S | * | * | trans | -140.6 | 16.8 | 178.2 | -164.3 | 0 | 0 | 0 | 0 | 116.3 | K393 | S391-K393 PolarHBondContact O-N 2.85Š| ||
| 392 | L | 36.2 | Very low | 30.4 | Very low | 149 Ų | 149 | 131.7 Ų | 131.7 | 78% | 0.78 | 76% | 0.761 | S | S | * | * | trans | -85.9 | 97.9 | 171 | -67.2 | -178.2 | 0 | 0 | 0 | 111.8 | ||||
| 393 | K | 32.1 | Very low | 30.6 | Very low | 203 Ų | 203 | 132.2 Ų | 132.2 | 88% | 0.883 | 77% | 0.769 | S | S | * | * | trans | -114.4 | 84.5 | 177.5 | -174 | -178.3 | 179.4 | 178.7 | 0 | 111 | S391 | S391-K393 PolarHBondContact O-N 2.85Š| ||
| 394 | G | 29 | Very low | 30.4 | Very low | 66 Ų | 66 | 136 Ų | 136 | 68% | 0.68 | 78% | 0.778 | S | S | * | * | trans | 160.5 | 60 | 172.8 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 395 | Q | 32.5 | Very low | 30.4 | Very low | 186 Ų | 186 | 133.9 Ų | 133.9 | 87% | 0.869 | 77% | 0.773 | S | S | * | * | trans | -137.5 | 151.7 | 154.8 | -85.4 | -56.1 | -78.7 | 0 | 0 | 111.1 | ||||
| 396 | P | 31.8 | Very low | 30.3 | Very low | 102 Ų | 102 | 139.5 Ų | 139.5 | 66% | 0.662 | 79% | 0.785 | S | S | * | * | trans | -90.7 | 165.3 | -165.8 | 36.4 | -36.5 | 0 | 0 | 0 | 114.6 | ||||
| 397 | E | 29 | Very low | 30.2 | Very low | 175 Ų | 175 | 134.8 Ų | 134.8 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | trans | -65.5 | 131.9 | 174.2 | -179.3 | -179.1 | 175.7 | 0 | 0 | 112.8 | ||||
| 398 | V | 31.5 | Very low | 30 | Very low | 132 Ų | 132 | 132.6 Ų | 132.6 | 80% | 0.8 | 78% | 0.779 | S | S | * | * | trans | -131.3 | 131.8 | 161.1 | 179.3 | 0 | 0 | 0 | 0 | 108 | ||||
| 399 | P | 31 | Very low | 29.9 | Very low | 103 Ų | 103 | 135.3 Ų | 135.3 | 67% | 0.669 | 78% | 0.784 | S | S | * | * | trans | -94.2 | 142.5 | -155.2 | -7.2 | 27.9 | 0 | 0 | 0 | 115.1 | ||||
| 400 | A | 27.6 | Very low | 29.9 | Very low | 100 Ų | 100 | 140.9 Ų | 140.9 | 83% | 0.826 | 80% | 0.804 | S | S | * | * | trans | 19.1 | 113.2 | 148 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 401 | Q | 28.7 | Very low | 30 | Very low | 196 Ų | 196 | 142 Ų | 142 | 92% | 0.916 | 80% | 0.803 | S | S | * | * | trans | -142.1 | 147.5 | 132.7 | -159.5 | 148.3 | 28.2 | 0 | 0 | 112.2 | ||||
| 402 | L | 25.4 | Very low | 29.8 | Very low | 164 Ų | 164 | 138.9 Ų | 138.9 | 86% | 0.859 | 79% | 0.788 | S | S | * | * | trans | -61.6 | 133 | 178.4 | -69 | 147.1 | 0 | 0 | 0 | 111.9 | ||||
| 403 | L | 31.1 | Very low | 29.7 | Very low | 179 Ų | 179 | 137.3 Ų | 137.3 | 94% | 0.937 | 79% | 0.79 | S | S | * | * | trans | -136.4 | 154.5 | 139.4 | -84.8 | -175.9 | 0 | 0 | 0 | 109.9 | ||||
| 404 | D | 26.9 | Very low | 29.9 | Very low | 157 Ų | 157 | 134.7 Ų | 134.7 | 84% | 0.84 | 78% | 0.781 | S | S | * | * | trans | -109.2 | 169.9 | -166.9 | -161.6 | -1.7 | 0 | 0 | 0 | 110.7 | ||||
| 405 | A | 28.2 | Very low | 30.1 | Very low | 79 Ų | 79 | 138 Ų | 138 | 65% | 0.653 | 78% | 0.777 | S | S | * | * | S | Bend | trans | 65.2 | 128.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 119.3 | G407 | A405-G407 PolarHBondContact O-N 2.88Š|
| 406 | E | 28.8 | Very low | 30.2 | Very low | 202 Ų | 202 | 133.6 Ų | 133.6 | 94% | 0.944 | 77% | 0.766 | S | S | * | * | trans | 55.3 | 35.3 | 137.9 | -144.1 | 164.7 | -177.8 | 0 | 0 | 119.1 | ||||
| 407 | G | 26.7 | Very low | 30.1 | Very low | 66 Ų | 66 | 133.6 Ų | 133.6 | 68% | 0.68 | 76% | 0.76 | S | S | * | * | trans | -87.9 | 101.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | A405 I409 | A405-G407 PolarHBondContact O-N 2.88Å; G407-I409 PolarHBondContact O-N 3.22Å | ||
| 408 | A | 27.1 | Very low | 30.6 | Very low | 100 Ų | 100 | 129.2 Ų | 129.2 | 83% | 0.826 | 74% | 0.739 | S | S | * | * | trans | -70.6 | 108.7 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | K410 | A408-K410 PolarHBondContact O-N 2.94Š| ||
| 409 | I | 28.8 | Very low | 30.8 | Very low | 158 Ų | 158 | 126.9 Ų | 126.9 | 81% | 0.81 | 72% | 0.722 | S | S | * | * | trans | -72.9 | 89.9 | 179.6 | -56.2 | 178.5 | 0 | 0 | 0 | 109.8 | G407 I411 | G407-I409 PolarHBondContact O-N 3.22Å; I409-I411 PolarHBondContact O-N 3.24Å; I409-I411 VanDerWaalsContact O-N 3.1Å | ||
| 410 | K | 34.8 | Very low | 31 | Very low | 203 Ų | 203 | 126.2 Ų | 126.2 | 88% | 0.883 | 71% | 0.71 | S | S | * | * | trans | -71.6 | 96.1 | 173.6 | -168.7 | -177.4 | -174.5 | -173.7 | 0 | 109.2 | A408 G412 | A408-K410 PolarHBondContact O-N 2.94Å; K410-G412 PolarHBondContact O-N 3.41Å | ||
| 411 | I | 30.5 | Very low | 31.6 | Very low | 156 Ų | 156 | 124.3 Ų | 124.3 | 80% | 0.8 | 69% | 0.688 | S | S | * | * | trans | -60.7 | 122.9 | 175.9 | -61.7 | 174.6 | 0 | 0 | 0 | 108.7 | I409 S413 | I409-I411 PolarHBondContact O-N 3.24Å; I409-I411 VanDerWaalsContact O-N 3.1Å; I411-S413 PolarHBondContact O-N 2.85Å | ||
| 412 | G | 28 | Very low | 32 | Very low | 41 Ų | 41 | 118.8 Ų | 118.8 | 42% | 0.423 | 66% | 0.662 | S | S | . | * | trans | -68.4 | 126.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | K410 E414 | K410-G412 PolarHBondContact O-N 3.41Å; G412-E414 VanDerWaalsContact C-N 3.29Å; G412-E414 PolarHBondContact O-N 3.14Å; G412-E414 VanDerWaalsContact O-N 3.15Å | ||
| 413 | S | 34.3 | Very low | 32.6 | Very low | 115 Ų | 115 | 114.9 Ų | 114.9 | 80% | 0.804 | 64% | 0.641 | S | S | * | * | trans | -84.8 | 71.9 | 171.4 | 176.7 | 0 | 0 | 0 | 0 | 109.5 | I411 | I411-S413 PolarHBondContact O-N 2.85Š| ||
| 414 | E | 37.1 | Very low | 33.1 | Very low | 149 Ų | 149 | 108.9 Ų | 108.9 | 70% | 0.696 | 61% | 0.612 | S | S | * | * | trans | -126.1 | 13.6 | -168.8 | 65.8 | -166.9 | 95.1 | 0 | 0 | 114.8 | G412 | G412-E414 VanDerWaalsContact C-N 3.29Å; G412-E414 PolarHBondContact O-N 3.14Å; G412-E414 VanDerWaalsContact O-N 3.15Å | ||
| 415 | K | 32.6 | Very low | 33.5 | Very low | 136 Ų | 136 | 103.8 Ų | 103.8 | 59% | 0.591 | 59% | 0.589 | S | S | * | * | trans | -156.2 | 67.1 | 172 | 37.7 | -176.5 | 166 | -178.9 | 0 | 112.9 | D389 | D389-K415 IonicContact OD2-NZ 3.78Å; D389-K415 PolarHBondContact OD2-NZ 2.95Å | ||
| 416 | S | 33.3 | Very low | 33.9 | Very low | 92 Ų | 92 | 105.4 Ų | 105.4 | 64% | 0.643 | 59% | 0.585 | S | S | * | * | P | Polyproline II helix | trans | -96.4 | 134.7 | 162 | -60.4 | 0 | 0 | 0 | 0 | 108.6 | ||
| 417 | L | 31.6 | Very low | 34.4 | Very low | 103 Ų | 103 | 101.5 Ų | 101.5 | 54% | 0.539 | 58% | 0.575 | S | S | . | * | P | Polyproline II helix | trans | -97.5 | 116.1 | 173.7 | -166.1 | 154.5 | 0 | 0 | 0 | 108.3 | ||
| 418 | H | 39.4 | Very low | 34.9 | Very low | 83 Ų | 83 | 102.2 Ų | 102.2 | 38% | 0.384 | 57% | 0.569 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -88.6 | 132.7 | 178 | -156 | -118.4 | 0 | 0 | 0 | 109.7 | V296 E420 | V296-H418 PolarHBondContact N-O 3.22Å; V296-H418 PolarHBondContact O-N 3.35Å; H418-E420 IonicContact CE1-OE1 2.68Å; H418-E420 PolarHBondContact CE1-OE1 3.1Å; H418-E420 IonicContact ND1-OE1 2.64Å; H418-E420 PolarHBondContact ND1-OE1 3.45Å |
| 419 | L | 34.5 | Very low | 35.4 | Very low | 82 Ų | 82 | 104.3 Ų | 104.3 | 43% | 0.429 | 57% | 0.567 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -128.4 | 108.6 | -179.1 | -179 | 67.1 | 0 | 0 | 0 | 108.8 | I293 V421 | I293-L419 HydrophobicContact CG2-CD1 3.75Å; L419-V421 HydrophobicContact CG-CG2 4.18Å |
| 420 | E | 35.7 | Very low | 35.7 | Very low | 89 Ų | 89 | 103.5 Ų | 103.5 | 42% | 0.416 | 56% | 0.564 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -101.5 | 135.1 | 174.6 | -75.3 | 157.7 | -123 | 0 | 0 | 109.1 | S294 H418 | S294-E420 PolarHBondContact N-O 3.01Å; S294-E420 PolarHBondContact O-N 2.98Å; H418-E420 IonicContact CE1-OE1 2.68Å; H418-E420 PolarHBondContact CE1-OE1 3.1Å; H418-E420 IonicContact ND1-OE1 2.64Å; H418-E420 PolarHBondContact ND1-OE1 3.45Å |
| 421 | V | 39.9 | Very low | 35.8 | Very low | 60 Ų | 60 | 99.5 Ų | 99.5 | 36% | 0.364 | 56% | 0.557 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -131.1 | 101.1 | -178.3 | -176.9 | 0 | 0 | 0 | 0 | 108.5 | V291 H292 L419 I423 | V291-V421 HydrophobicContact CG1-CG1 3.81Å; H292-V421 WeakPolarHBondContact O-CA 3.3Å; L419-V421 HydrophobicContact CG-CG2 4.18Å; V421-I423 HydrophobicContact CG1-CG1 4.28Å |
| 422 | E | 37.4 | Very low | 35.8 | Very low | 81 Ų | 81 | 96 Ų | 96 | 38% | 0.379 | 56% | 0.559 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -91.6 | 129.7 | 173.4 | -170.7 | 174.5 | -163.9 | 0 | 0 | 109.8 | H292 T424 | H292-E422 HydrophobicContact CB-CB 4.17Å; H292-E422 PolarHBondContact N-O 3.48Å; H292-E422 PolarHBondContact O-N 3.16Å; H292-E422 VanDerWaalsContact O-N 3.1Å; E422-T424 HydrophobicContact CG-CG2 4.13Å |
| 423 | I | 38.8 | Very low | 36 | Very low | 81 Ų | 81 | 101.7 Ų | 101.7 | 42% | 0.415 | 57% | 0.574 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -113.3 | 108.5 | 178.4 | -55.4 | 179.2 | 0 | 0 | 0 | 107.8 | L8 V291 V421 | L8-I423 HydrophobicContact CD2-CD1 4.29Å; V291-I423 HydrophobicContact CG2-CG1 4.29Å; V291-I423 HydrophobicContact CG2-CG2 4.39Å; V421-I423 HydrophobicContact CG1-CG1 4.28Å |
| 424 | T | 40.6 | Very low | 35.9 | Very low | 53 Ų | 53 | 105 Ų | 105 | 33% | 0.325 | 58% | 0.578 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -103.3 | 130.3 | 176.6 | 60.3 | 0 | 0 | 0 | 0 | 110.5 | T290 E422 | T290-T424 PolarHBondContact N-O 3.41Å; T290-T424 PolarHBondContact O-N 3.3Å; T290-T424 PolarHBondContact O-OG1 3.26Å; E422-T424 HydrophobicContact CG-CG2 4.13Å |
| 425 | S | 34.8 | Very low | 36 | Very low | 51 Ų | 51 | 106.1 Ų | 106.1 | 36% | 0.357 | 58% | 0.582 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -117.4 | 118.6 | 175.2 | -176.1 | 0 | 0 | 0 | 0 | 107.8 | ||
| 426 | I | 37 | Very low | 36.2 | Very low | 113 Ų | 113 | 105.2 Ų | 105.2 | 58% | 0.579 | 59% | 0.594 | S | S | * | * | trans | -108.6 | 116.7 | -178.2 | -54 | 176.9 | 0 | 0 | 0 | 107.1 | S428 | I426-S428 PolarHBondContact O-N 2.77Š| ||
| 427 | V | 38.6 | Very low | 36.2 | Very low | 120 Ų | 120 | 104.2 Ų | 104.2 | 73% | 0.727 | 60% | 0.598 | S | S | * | * | trans | -82.5 | 110.4 | 170.5 | 178.3 | 0 | 0 | 0 | 0 | 107.7 | D429 | V427-D429 PolarHBondContact O-N 3.39Å; V427-D429 VanDerWaalsContact O-N 3.1Å | ||
| 428 | S | 38.9 | Very low | 36.3 | Very low | 81 Ų | 81 | 108.6 Ų | 108.6 | 57% | 0.566 | 62% | 0.616 | S | S | * | * | trans | -65.8 | 104.5 | 170 | -64.6 | 0 | 0 | 0 | 0 | 109.7 | I426 N430 | I426-S428 PolarHBondContact O-N 2.77Å; S428-N430 PolarHBondContact O-N 2.95Å; S428-N430 PolarHBondContact O-OD1 3.27Å | ||
| 429 | D | 37.3 | Very low | 35.9 | Very low | 143 Ų | 143 | 112.3 Ų | 112.3 | 77% | 0.765 | 64% | 0.638 | S | S | * | * | trans | -77.3 | 106.1 | 174.5 | -128.2 | -19.7 | 0 | 0 | 0 | 108.4 | V427 T431 | V427-D429 PolarHBondContact O-N 3.39Å; V427-D429 VanDerWaalsContact O-N 3.1Å; D429-T431 PolarHBondContact O-N 3.04Å | ||
| 430 | N | 34.2 | Very low | 35.8 | Very low | 142 Ų | 142 | 114.3 Ų | 114.3 | 76% | 0.759 | 66% | 0.659 | S | S | * | * | trans | -74.9 | 48.6 | -170.9 | -67 | -25.1 | 0 | 0 | 0 | 113.5 | S428 G432 | S428-N430 PolarHBondContact O-N 2.95Å; S428-N430 PolarHBondContact O-OD1 3.27Å; N430-G432 PolarHBondContact O-N 3.05Å | ||
| 431 | T | 37 | Very low | 35.6 | Very low | 119 Ų | 119 | 116.1 Ų | 116.1 | 73% | 0.73 | 68% | 0.676 | S | S | * | * | trans | -91.2 | 90.4 | 175.5 | -57.9 | 0 | 0 | 0 | 0 | 109.6 | D429 Q433 | D429-T431 PolarHBondContact O-N 3.04Å; T431-Q433 PolarHBondContact O-N 3.07Å | ||
| 432 | G | 30.7 | Very low | 35.2 | Very low | 82 Ų | 82 | 119.3 Ų | 119.3 | 85% | 0.845 | 70% | 0.698 | S | S | * | * | trans | -67.5 | 111.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | N430 | N430-G432 PolarHBondContact O-N 3.05Š| ||
| 433 | Q | 32.4 | Very low | 34.8 | Very low | 160 Ų | 160 | 123.8 Ų | 123.8 | 75% | 0.748 | 72% | 0.719 | S | S | * | * | trans | -133.6 | 125.9 | 152.8 | -173 | 178.2 | -34 | 0 | 0 | 108.7 | T431 | T431-Q433 PolarHBondContact O-N 3.07Š| ||
| 434 | E | 33.2 | Very low | 34.4 | Very low | 186 Ų | 186 | 129 Ų | 129 | 87% | 0.869 | 74% | 0.741 | S | S | * | * | trans | -70.9 | 133 | 171.6 | -59.2 | 170.7 | 105.2 | 0 | 0 | 109.8 | ||||
| 435 | E | 39.4 | Very low | 33.9 | Very low | 171 Ų | 171 | 135 Ų | 135 | 80% | 0.799 | 77% | 0.768 | S | S | * | * | trans | -156.7 | 141.9 | 146.3 | -118.1 | 160.4 | -132.7 | 0 | 0 | 110.4 | ||||
| 436 | S | 36.5 | Very low | 33.7 | Very low | 118 Ų | 118 | 139.8 Ų | 139.8 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | trans | -64.7 | 144.3 | 177.1 | 48.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 437 | G | 32.3 | Very low | 33.5 | Very low | 71 Ų | 71 | 138.1 Ų | 138.1 | 73% | 0.732 | 80% | 0.795 | S | S | * | * | cis | 96.6 | 77.3 | 22 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 438 | E | 35 | Very low | 33.4 | Very low | 195 Ų | 195 | 139.9 Ų | 139.9 | 91% | 0.911 | 79% | 0.793 | S | S | * | * | trans | -155.6 | 138.7 | 167.6 | -120.8 | 171.6 | -171.1 | 0 | 0 | 110.4 | ||||
| 439 | N | 29.1 | Very low | 33.2 | Very low | 161 Ų | 161 | 141.7 Ų | 141.7 | 86% | 0.861 | 80% | 0.803 | S | S | * | * | trans | -97.3 | 124.5 | -175.1 | -49.1 | -54.1 | 0 | 0 | 0 | 110.1 | ||||
| 440 | S | 32.9 | Very low | 33 | Very low | 123 Ų | 123 | 141.5 Ų | 141.5 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | trans | -158.3 | 130.7 | 158.4 | -88.7 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 441 | V | 32.2 | Very low | 33.2 | Very low | 127 Ų | 127 | 142.6 Ų | 142.6 | 77% | 0.77 | 81% | 0.811 | S | S | * | * | trans | -16.9 | 138 | 158.1 | -177.8 | 0 | 0 | 0 | 0 | 116.2 | Q443 | V441-Q443 PolarHBondContact O-N 3.28Š| ||
| 442 | P | 30.1 | Very low | 33.4 | Very low | 128 Ų | 128 | 142.9 Ų | 142.9 | 83% | 0.831 | 82% | 0.818 | S | S | * | * | trans | -68.3 | 123.4 | 171.1 | 29.7 | -34.5 | 0 | 0 | 0 | 111.1 | ||||
| 443 | Q | 30.3 | Very low | 33.8 | Very low | 175 Ų | 175 | 142.5 Ų | 142.5 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | trans | -111.9 | 124.6 | 166.9 | -174.4 | 175 | -10.1 | 0 | 0 | 109.9 | V441 M445 | V441-Q443 PolarHBondContact O-N 3.28Å; Q443-M445 PolarHBondContact O-N 2.89Å | ||
| 444 | E | 29.7 | Very low | 33.8 | Very low | 191 Ų | 191 | 143.9 Ų | 143.9 | 89% | 0.893 | 82% | 0.821 | S | S | * | * | trans | -64.8 | 126.7 | 172.8 | -60 | 175.5 | 107.8 | 0 | 0 | 110.6 | ||||
| 445 | M | 31.4 | Very low | 33.9 | Very low | 179 Ų | 179 | 139.5 Ų | 139.5 | 88% | 0.882 | 82% | 0.816 | S | S | * | * | trans | -146.6 | 117 | 160.8 | -153.8 | 164.7 | -166.1 | 0 | 0 | 111.8 | Q443 G447 | Q443-M445 PolarHBondContact O-N 2.89Å; M445-G447 PolarHBondContact O-N 3.39Å; M445-G447 VanDerWaalsContact O-N 3.1Å | ||
| 446 | E | 30.3 | Very low | 33.9 | Very low | 151 Ų | 151 | 135.6 Ų | 135.6 | 71% | 0.706 | 81% | 0.813 | S | S | * | * | trans | -72.3 | 98.2 | -174.2 | -172.7 | -175.3 | 161.8 | 0 | 0 | 112 | K448 | E446-K448 PolarHBondContact O-N 3.2Å; E446-K448 WeakPolarHBondContact OE1-CD 3.35Å; E446-K448 WeakPolarHBondContact OE1-CE 3.27Å; E446-K448 IonicContact OE1-NZ 2.66Å; E446-K448 PolarHBondContact OE1-NZ 3.43Å | ||
| 447 | G | 31.6 | Very low | 34 | Very low | 77 Ų | 77 | 139.2 Ų | 139.2 | 79% | 0.794 | 82% | 0.817 | S | S | * | * | trans | -93.1 | 77.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | M445 | M445-G447 PolarHBondContact O-N 3.39Å; M445-G447 VanDerWaalsContact O-N 3.1Å | ||
| 448 | K | 37.2 | Very low | 34 | Very low | 157 Ų | 157 | 139.4 Ų | 139.4 | 68% | 0.683 | 81% | 0.812 | S | S | * | * | trans | -73.9 | 143.1 | 171.5 | -83.5 | 178.8 | 174.7 | 144.5 | 0 | 112 | E446 | E446-K448 PolarHBondContact O-N 3.2Å; E446-K448 WeakPolarHBondContact OE1-CD 3.35Å; E446-K448 WeakPolarHBondContact OE1-CE 3.27Å; E446-K448 IonicContact OE1-NZ 2.66Å; E446-K448 PolarHBondContact OE1-NZ 3.43Å | ||
| 449 | P | 35.2 | Very low | 34.1 | Very low | 119 Ų | 119 | 135.9 Ų | 135.9 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | trans | -70.6 | 133.9 | -176.7 | 28.8 | -35 | 0 | 0 | 0 | 111.7 | L451 | P449-L451 PolarHBondContact O-N 3.26Š| ||
| 450 | V | 33.4 | Very low | 34.5 | Very low | 140 Ų | 140 | 136.2 Ų | 136.2 | 85% | 0.848 | 80% | 0.799 | S | S | * | * | trans | -76.1 | 106.2 | 174.9 | 177 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 451 | L | 38.2 | Very low | 34.8 | Very low | 165 Ų | 165 | 136.2 Ų | 136.2 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | trans | -95.1 | 132.3 | 157.6 | -90.3 | 167.8 | 0 | 0 | 0 | 109.3 | P449 | P449-L451 PolarHBondContact O-N 3.26Š| ||
| 452 | S | 41.2 | Very low | 35 | Very low | 124 Ų | 124 | 133.3 Ų | 133.3 | 87% | 0.867 | 80% | 0.795 | S | S | * | * | trans | -72.4 | 129 | -178.7 | -50.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 453 | G | 37.3 | Very low | 35.2 | Very low | 74 Ų | 74 | 134.2 Ų | 134.2 | 76% | 0.763 | 80% | 0.798 | S | S | * | * | trans | 177 | 77.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 454 | E | 33.9 | Very low | 35.5 | Very low | 190 Ų | 190 | 130.8 Ų | 130.8 | 89% | 0.888 | 79% | 0.794 | S | S | * | * | trans | 45.5 | 97.2 | 146.2 | -153.1 | 142.1 | 111.3 | 0 | 0 | 121.5 | ||||
| 455 | A | 35.8 | Very low | 35.6 | Very low | 94 Ų | 94 | 128.1 Ų | 128.1 | 78% | 0.777 | 79% | 0.79 | S | S | * | * | 62.1 | 125.3 | 127.9 | 0 | 0 | 0 | 0 | 0 | 124 | |||||
| 456 | A | 38.5 | Very low | 35.9 | Very low | 89 Ų | 89 | 129.2 Ų | 129.2 | 74% | 0.736 | 79% | 0.79 | S | S | * | * | trans | 89.9 | 110.4 | 134 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 457 | E | 37.5 | Very low | 36.1 | Very low | 194 Ų | 194 | 127.6 Ų | 127.6 | 91% | 0.907 | 80% | 0.796 | S | S | * | * | trans | 62.8 | 147.1 | 143.3 | -63.3 | -157.3 | 122.7 | 0 | 0 | 121.1 | ||||
| 458 | A | 33.3 | Very low | 36.6 | Very low | 75 Ų | 75 | 129.7 Ų | 129.7 | 62% | 0.62 | 80% | 0.798 | S | S | * | * | cis | -169.5 | 172.1 | -21.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 459 | V | 37.3 | Very low | 36.7 | Very low | 120 Ų | 120 | 127 Ų | 127 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | trans | 66.8 | 90.6 | 146.4 | 165.2 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 460 | H | 38.1 | Very low | 37 | Very low | 169 Ų | 169 | 123.9 Ų | 123.9 | 78% | 0.782 | 79% | 0.788 | S | S | * | * | 69.1 | 137.9 | 123.9 | -58.5 | -45.9 | 0 | 0 | 0 | 124.4 | |||||
| 461 | S | 39.1 | Very low | 37.9 | Very low | 123 Ų | 123 | 123.4 Ų | 123.4 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | trans | 76.7 | 107.8 | 140.6 | -66 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 462 | G | 35.3 | Very low | 38.2 | Very low | 66 Ų | 66 | 124.5 Ų | 124.5 | 68% | 0.68 | 79% | 0.786 | S | S | * | * | 134.4 | 117.9 | 111.6 | 0 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 463 | T | 34.7 | Very low | 39.2 | Very low | 147 Ų | 147 | 123.8 Ų | 123.8 | 90% | 0.902 | 78% | 0.779 | S | S | * | * | trans | 77.4 | 131.5 | 145.5 | -3.9 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 464 | S | 35.8 | Very low | 39.9 | Very low | 103 Ų | 103 | 126.2 Ų | 126.2 | 72% | 0.72 | 78% | 0.781 | S | S | * | * | trans | 88.9 | 100 | 138.4 | -144 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 465 | V | 33.4 | Very low | 40.6 | Very low | 135 Ų | 135 | 121.2 Ų | 121.2 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | 43.4 | 108 | 129.1 | -172.1 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 466 | K | 37.1 | Very low | 41.8 | Very low | 201 Ų | 201 | 123 Ų | 123 | 87% | 0.874 | 78% | 0.776 | S | S | * | * | -158.8 | 135.8 | 117.9 | -151.5 | 159.9 | -176.9 | 173.9 | 0 | 112.9 | |||||
| 467 | S | 34.2 | Very low | 42.2 | Very low | 118 Ų | 118 | 128.2 Ų | 128.2 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | trans | -74.9 | 143.3 | 167.1 | -47.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 468 | S | 41.6 | Very low | 42.4 | Very low | 120 Ų | 120 | 122.1 Ų | 122.1 | 84% | 0.839 | 77% | 0.774 | S | S | * | * | trans | -136.4 | 128.2 | 168.9 | -170.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 469 | S | 40 | Very low | 42.7 | Very low | 101 Ų | 101 | 127.3 Ų | 127.3 | 71% | 0.706 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 145.9 | 176.6 | -168.4 | 0 | 0 | 0 | 0 | 111.4 | ||
| 470 | G | 41.9 | Very low | 43.1 | Very low | 53 Ų | 53 | 128 Ų | 128 | 55% | 0.546 | 80% | 0.795 | S | S | . | * | P | Polyproline II helix | trans | -71 | 163.4 | 157.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 471 | P | 51.4 | Low | 43.6 | Very low | 130 Ų | 130 | 123.9 Ų | 123.9 | 84% | 0.844 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -80 | 143 | -172.3 | 31.5 | -34.9 | 0 | 0 | 0 | 113.4 | ||
| 472 | F | 44.4 | Very low | 44.6 | Very low | 188 Ų | 188 | 123.7 Ų | 123.7 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 150.6 | 162 | -74.1 | -97 | 0 | 0 | 0 | 110.5 | ||
| 473 | P | 63 | Low | 45.1 | Very low | 110 Ų | 110 | 129.6 Ų | 129.6 | 71% | 0.714 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 153.1 | 164.5 | 29.8 | -34.5 | 0 | 0 | 0 | 110.8 | ||
| 474 | P | 52.1 | Low | 46.1 | Very low | 125 Ų | 125 | 130.2 Ų | 130.2 | 81% | 0.812 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 140.8 | -176.5 | 29.4 | -35.1 | 0 | 0 | 0 | 112.2 | ||
| 475 | A | 48.7 | Very low | 47.3 | Very low | 85 Ų | 85 | 133.8 Ų | 133.8 | 70% | 0.702 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 148.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | E477 | A475-E477 PolarHBondContact O-N 3.22Å; A475-E477 VanDerWaalsContact O-N 3.15Å |
| 476 | P | 61 | Low | 48.2 | Very low | 131 Ų | 131 | 133.1 Ų | 133.1 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | trans | -74.2 | 103.2 | 176.2 | 29.4 | -33.6 | 0 | 0 | 0 | 111.4 | G478 | P476-G478 PolarHBondContact O-N 3.08Š| ||
| 477 | E | 46.2 | Very low | 48.7 | Very low | 198 Ų | 198 | 133.2 Ų | 133.2 | 93% | 0.925 | 80% | 0.8 | S | S | * | * | trans | -68.9 | 124.2 | 163.8 | -64.3 | -173.8 | 129.3 | 0 | 0 | 109.6 | A475 | A475-E477 PolarHBondContact O-N 3.22Å; A475-E477 VanDerWaalsContact O-N 3.15Å | ||
| 478 | G | 41.8 | Very low | 49.5 | Very low | 66 Ų | 66 | 131.3 Ų | 131.3 | 68% | 0.68 | 80% | 0.799 | S | S | * | * | trans | -176.2 | 13.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | P476 T480 | P476-G478 PolarHBondContact O-N 3.08Å; G478-T480 PolarHBondContact O-N 3.37Å; G478-T480 VanDerWaalsContact O-N 3.15Å | ||
| 479 | L | 39.1 | Very low | 49.9 | Very low | 184 Ų | 184 | 134.4 Ų | 134.4 | 96% | 0.963 | 80% | 0.8 | S | S | * | * | trans | -85.4 | 78.2 | 175.6 | -73 | 178.6 | 0 | 0 | 0 | 111.6 | ||||
| 480 | T | 45.6 | Very low | 50.4 | Low | 135 Ų | 135 | 134.6 Ų | 134.6 | 83% | 0.828 | 80% | 0.801 | S | S | * | * | trans | -90.9 | 106.1 | 165.1 | -49.1 | 0 | 0 | 0 | 0 | 108.7 | G478 | G478-T480 PolarHBondContact O-N 3.37Å; G478-T480 VanDerWaalsContact O-N 3.15Å | ||
| 481 | A | 50.2 | Low | 50.7 | Low | 82 Ų | 82 | 138.2 Ų | 138.2 | 68% | 0.678 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 145.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | E483 | A481-E483 PolarHBondContact O-N 3.38Š|
| 482 | P | 59.8 | Low | 50.8 | Low | 120 Ų | 120 | 136.8 Ų | 136.8 | 78% | 0.779 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 132.2 | 168.4 | 28.8 | -33.2 | 0 | 0 | 0 | 109.9 | ||
| 483 | E | 46.1 | Very low | 51 | Low | 190 Ų | 190 | 140.8 Ų | 140.8 | 89% | 0.888 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 137 | 179.3 | -168.2 | 168.4 | 179 | 0 | 0 | 110.7 | A481 | A481-E483 PolarHBondContact O-N 3.38Š|
| 484 | I | 55 | Low | 50.4 | Low | 160 Ų | 160 | 142.4 Ų | 142.4 | 82% | 0.821 | 84% | 0.839 | S | S | * | * | trans | -101.1 | 97.7 | -177.8 | -57.4 | 165.3 | 0 | 0 | 0 | 107.7 | ||||
| 485 | E | 60 | Low | 50.3 | Low | 178 Ų | 178 | 143.3 Ų | 143.3 | 83% | 0.832 | 84% | 0.841 | S | S | * | * | trans | -67.6 | 137.3 | 168.2 | -84.1 | -161.9 | 119.7 | 0 | 0 | 110.6 | ||||
| 486 | P | 53.5 | Low | 50.4 | Low | 121 Ų | 121 | 146.5 Ų | 146.5 | 79% | 0.786 | 85% | 0.848 | S | S | * | * | trans | -83.6 | 174.7 | -177.5 | 34.8 | -36.6 | 0 | 0 | 0 | 113.6 | ||||
| 487 | E | 46.2 | Very low | 49.8 | Very low | 203 Ų | 203 | 147.4 Ų | 147.4 | 95% | 0.949 | 85% | 0.848 | S | S | * | * | trans | -63.9 | 146.9 | -167.8 | -59.1 | 175.6 | 105.2 | 0 | 0 | 115.4 | ||||
| 488 | G | 51.1 | Low | 50 | Low | 78 Ų | 78 | 144.3 Ų | 144.3 | 80% | 0.804 | 84% | 0.843 | S | S | * | * | trans | -143.7 | 57.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 489 | E | 51.3 | Low | 50.6 | Low | 184 Ų | 184 | 149.5 Ų | 149.5 | 86% | 0.86 | 85% | 0.854 | S | S | * | * | trans | -20 | 126.9 | 162.2 | 179.8 | -176.9 | -179.7 | 0 | 0 | 117.1 | ||||
| 490 | S | 49.2 | Very low | 51.4 | Low | 105 Ų | 105 | 147 Ų | 147 | 73% | 0.734 | 85% | 0.847 | S | S | * | * | 172 | 153.4 | 120.1 | 45 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 491 | T | 48.7 | Very low | 51.8 | Low | 129 Ų | 129 | 147.9 Ų | 147.9 | 79% | 0.791 | 85% | 0.848 | S | S | * | * | trans | -1.2 | 127.3 | 162.6 | 50.5 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 492 | A | 52.8 | Low | 52 | Low | 100 Ų | 100 | 153.4 Ų | 153.4 | 83% | 0.826 | 86% | 0.862 | S | S | * | * | 76.2 | 103.6 | 50.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 493 | E | 49.9 | Very low | 51.3 | Low | 273 Ų | 273 | 156.5 Ų | 156.5 | 100% | 1.276 | 87% | 0.87 | S | S | * | * | trans | -140 | 0 | 133.5 | -164.4 | 174 | -175.6 | 0 | 0 | 108.3 |
Retrieved 493 of 493 residues in 585.3 ms
(Link to these results)